2-Bromobutane
PubChem CID: 6554
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| Compound Synonyms | 2-Bromobutane, 78-76-2, SEC-BUTYL BROMIDE, Butane, 2-bromo-, 2-Butyl bromide, Methylethylbromomethane, 2-Bromo-butane, Secondary butyl bromide, CCRIS 106, HSDB 2197, 1-Bromo-1-methylpropane, UNII-SSI829JO4W, NSC 8417, EINECS 201-140-7, SSI829JO4W, UN2339, BRN 0505949, sec-C4H9Br, DTXSID7021499, AI3-25262, NSC-8417, (.+/-.)-2-Bromobutane, DTXCID201499, SEC-BUTYL BROMIDE [MI], 0-01-00-00119 (Beilstein Handbook Reference), 2-BROMOBUTANE, (+/-)-, SEC-BUTYL BROMIDE, (+/-)-, UN 2339, SEC-BUTYL BROMIDE DL-FORM [MI], 2-Bromobutane sec-Butyl?bromide, sec-Butylbromide, (+-)-2-Bromobutane, MFCD00000156, secButyl bromide, 3-bromobutane, 2-brombutane, 2Butyl bromide, 2-Bromo butane, Butane, 2bromo, sec. butyl bromide, sec.-butyl bromide, 1-Methylpropyl bromide, 2-Bromobutane, 98%, (+/-)-2-Bromobutane, SCHEMBL27724, 2-Bromobutane sec-Butylbromide, CHEMBL156276, SCHEMBL6999177, WLN: EY2&1, 2-BUTYL BROMIDE [HSDB], (+-)-SEC-BUTYL BROMIDE, METHYL ETHYL BROMO-METHANE, NSC8417, SEC-BUTYL BROMIDE DL-FORM, (.+-.)-2-BROMOBUTANE, CIA39272, STR03634, Tox21_200633, (.+-.)-SEC-BUTYL BROMIDE, AKOS009157105, CAS-78-76-2, NCGC00248774-01, NCGC00258187-01, Methylethylbromoomethane, sec-Butyl bromide, 2-Bromobutane, purum, >=98.0% (GC), DB-021233, B0561, NS00022800, EN300-82118, 2-Bromobutane [UN2339] [Flammable liquid], G77187, Q209314, F0001-2055, 201-140-7 |
|---|---|
| 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, Hydrocarbons |
| Deep Smiles | CCCBr)C |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Organobromides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 19.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-bromobutane |
| Veber Rule | True |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H9Br |
| Inchi Key | UPSXAPQYNGXVBF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | butane,2-bromo |
| Esol Class | Soluble |
| Functional Groups | CBr |
| Compound Name | 2-Bromobutane |
| Exact Mass | 135.989 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 135.989 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 137.02 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3 |
| Smiles | CCC(C)Br |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Allium Wallichii (Plant) Rel Props:Reference:https://doi.org/10.1016/s0167-4501(06)80207-4