| CAS Number | 1187237-82-6 |
| Catalog Number | AG00HEPV |
| Chemical Name | 3-(Bromomethyl)-4-chlorobenzoic acid |
| IUPAC Name | 3-(bromomethyl)-4-chlorobenzoic acid |
| InChI | InChI=1S/C8H6BrClO2/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12) |
| InChI Key | JUJAOSCAZDKRGN-UHFFFAOYSA-N |
| MDL Number | MFCD17676542 |
| Molecular Formula | C8H6BrClO2 |
| Molecular Weight | 249.4890 |
| SMILES | OC(C1=CC(CBr)=C(Cl)C=C1)=O |
| Synonyms | 3-(bromomethyl)-4-chlorobenzoic acid,
1187237-82-6,
SCHEMBL3267071,
MFCD17676542,
ZINC66325691,
AKOS015890961,
NE36498,
I01-8536,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.488g/mol |
| Monoisotopic Mass | 247.924g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number