| CAS Number | 923130-21-6 |
| Catalog Number | AG019PY7 |
| Chemical Name | 1-(3-Bromophenyl)cyclohexane-1-carboxylic acid |
| IUPAC Name | 1-(3-bromophenyl)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C13H15BrO2/c14-11-6-4-5-10(9-11)13(12(15)16)7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,15,16) |
| InChI Key | LADNJYDIETWEEI-UHFFFAOYSA-N |
| MDL Number | MFCD08444820 |
| Molecular Formula | C13H15BrO2 |
| Molecular Weight | 283.1610 |
| SMILES | C1CCC(CC1)(C2=CC(=CC=C2)Br)C(=O)O |
| Synonyms | 1-(3-bromophenyl)cyclohexane-1-carboxylic acid,
923130-21-6,
1-(3-bromophenyl)cyclohexanecarboxylic acid,
AC1Q720I,
CYCLOHEXANECARBOXYLIC ACID,1-(3-BROMOPHENYL)-,
SCHEMBL17632673,
CTK5I8388,
MFCD08444820,
ZINC20284501,
AKOS009113612,
MCULE-9977386800,
NE13891,
AS-43535,
SC-57628,
EN300-86708,
F9994-0383,
Z228588596,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.165g/mol |
| Monoisotopic Mass | 282.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number