| CAS Number | 120077-68-1 |
| Catalog Number | AG000Q8K(AGN-PC-09OT6M) |
| Chemical Name | Benzenemethanol, 4-bromo-3-chloro- |
| IUPAC Name | (4-bromo-3-chlorophenyl)methanol |
| InChI | InChI=1S/C7H6BrClO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2 |
| InChI Key | QXKNNVRGECWRKK-UHFFFAOYSA-N |
| MDL Number | MFCD08059111 |
| Molecular Formula | C7H6BrClO |
| Molecular Weight | 221.4789 |
| SMILES | OCC1=CC=C(Br)C(Cl)=C1 |
| Synonyms | 120077-68-1,
4-Bromo-3-chlorobenzyl alcohol,
(4-bromo-3-chlorophenyl)methanol,
Benzenemethanol, 4-bromo-3-chloro-,
(4-BROMO-3-CHLORO-PHENYL)-METHANOL,
SCHEMBL2522185,
QXKNNVRGECWRKK-UHFFFAOYSA-N,
MFCD08059111,
ZINC67794651,
AKOS017558913,
MCULE-7757334292,
AS-36344,
SC-14457,
SY030332,
Y3805,
MFCD08059111 (95%),
Q-8997,
Z1741970380,
C7H6BrClO,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.478g/mol |
| Monoisotopic Mass | 219.929g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number