4-Chloro-1-butanol
PubChem CID: 13569
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| Compound Synonyms | 4-Chloro-1-butanol, 4-Chlorobutan-1-ol, 928-51-8, 4-Chlorobutanol, Tetramethylene chlorohydrin, 1-BUTANOL, 4-CHLORO-, 4-Chloro-1-butane-ol, 4-Chlorbutan-1-ol, 4-chloro-butan-1-ol, 1-chloro-4-butanol, 4-Chlorbutan-1-ol [German], CCRIS 7507, 4-Chloro-1-hydroxybutane, 2-(2-chloroethyl)ethanol, EINECS 213-175-5, UNII-42EI3I5AY0, NSC 10810, BRN 1731408, 42EI3I5AY0, CHEBI:87310, AI3-14616, 4-hydroxybutyl chloride, MFCD00002967, NSC-10810, hydroxypropyl methyl chloride, .OMEGA.-CHLOROBUTANOL, DTXSID2061301, 4-Chloro-1-butanol, Tech grade, 4-01-00-01550 (Beilstein Handbook Reference), 4-Chloro-1-butanol (Technical Grade), 4chlorobutanol, 4Chlorobutan1ol, 4Chlorbutan1ol, 4Chloro1butaneol, 4chloro-1-butanol, 1Butanol, 4chloro, 4-chloranylbutan-1-ol, OMEGA-CHLOROBUTANOL, SCHEMBL1041, WLN: Q4G, CHEMBL2260957, DTXCID8048818, AAA92851, NSC10810, STR03656, STL481896, AKOS009031610, DB-027021, CS-0022417, NS00039494, 4-Chloro-1-butanol, technical grade, ~85%, EN300-20000, F11085, A844366, Q229943, doi:10.14272/HXHGULXINZUGJX-UHFFFAOYSA-N.1, F0001-2232, 4-Chloro-1-butanol(contains varying amounts of Tetrahydrofuran) |
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| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 23.5 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-chlorobutan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C4H9ClO |
| Prediction Swissadme | 0.0 |
| Inchi Key | HXHGULXINZUGJX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.314 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.409 |
| Compound Name | 4-Chloro-1-butanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 108.034 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 108.034 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 108.57 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8506215999999998 |
| Inchi | InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2 |
| Smiles | C(CCCl)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all