Chlorodibromomethane
PubChem CID: 31296
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| Compound Synonyms | CHLORODIBROMOMETHANE, Dibromochloromethane, 124-48-1, Methane, dibromochloro-, dibromo(chloro)methane, Monochlorodibromomethane, Chlorobromoform, CDBM, Dibromo-chloro-methane, NCI-C55254, Methane, chlorodibromo-, CCRIS 938, HSDB 2763, EINECS 204-704-0, BRN 1731046, 3T4AJR1H24, DTXSID1020300, Dibromomonochloromethane, MFCD00000820, DTXCID30300, CHEBI:34627, CHLORODIBROMOMETHANE [MI], CHLORODIBROMOMETHANE [HSDB], CHLORODIBROMOMETHANE [IARC], 4-01-00-00081 (Beilstein Handbook Reference), CHLORODIBROMOMETHANE (IARC), UNII-3T4AJR1H24, Chlorodibromomethane, DBCM, Dibromomonochloromethane, Monochlorodibromomethane, CHClBr2, Methane, chlorodibromo, Methane, dibromochloro, Dibromochloromethane (stabilized with Ethanol), Dibromochloromethane, 98%, dibromochloro-Methyl radical, Dibromochloromethane 100 microg/mL in Methanol, Dibromochloromethane solution, SCHEMBL76438, BIDD:ER0343, bis(bromanyl)-chloranyl-methane, CHEMBL157093, DTXSID30188461, Tox21_200153, AKOS015848668, FD21587, FS-3822, Dibromochloromethane, analytical standard, NCGC00091422-01, NCGC00091422-02, NCGC00257707-01, CAS-124-48-1, DB-041774, CS-0315221, NS00006469, S0643, D89312, A805237, Q411773, Dibromochloromethane, analytical standard, amylene stabilized, Chlorodibromomethane, Dibromomonochloromethane, Monochlorodibromomethane, 204-704-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Halogenated hydrocarbons |
| Deep Smiles | ClCBr)Br |
| Heavy Atom Count | 4.0 |
| Classyfire Class | Alkyl halides |
| Classyfire Subclass | Halomethanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 13.5 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q99714, P04150, Q96RI1 |
| Iupac Name | dibromo(chloro)methane |
| Prediction Hob | 1.0 |
| Class | Alkyl halides |
| Veber Rule | True |
| Classyfire Superclass | Organohalogen compounds |
| Target Id | NPT149 |
| Xlogp | 2.6 |
| Superclass | Organohalogen compounds |
| Subclass | Halomethanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | CHBr2Cl |
| Prediction Swissadme | 0.0 |
| Inchi Key | GATVIKZLVQHOMN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -1.93 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.371 |
| Synonyms | Chlorodibromomethane, Dibromo(chloro)methane, Dibromo-chloro-methane, Dibromochloromethane, dibromochloromethane |
| Esol Class | Soluble |
| Functional Groups | CBr, CCl |
| Compound Name | Chlorodibromomethane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 207.811 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 205.813 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 208.28 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.769336 |
| Inchi | InChI=1S/CHBr2Cl/c2-1(3)4/h1H |
| Smiles | C(Cl)(Br)Br |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Trihalomethanes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Ainsliaea Dissecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Platycarphella Carlinoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pulicaria Dysenterica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Rosa Centifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2004.10643360 - 5. Outgoing r'ship
FOUND_INto/from Uncaria Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all