| CAS Number | 247575-34-4 |
| Catalog Number | AG01BK8G(AGN-PC-0WOMO5) |
| Chemical Name | (3-Bromo-2,5-dimethylphenyl)methanol |
| IUPAC Name | (3-bromo-2,5-dimethylphenyl)methanol |
| InChI | InChI=1S/C9H11BrO/c1-6-3-8(5-11)7(2)9(10)4-6/h3-4,11H,5H2,1-2H3 |
| InChI Key | JFJVXKYARHQXHL-UHFFFAOYSA-N |
| MDL Number | MFCD26403806 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | CC1=CC(CO)=C(C)C(Br)=C1 |
| Synonyms | (3-bromo-2,5-dimethylphenyl)methanol,
247575-34-4,
SCHEMBL286765,
JFJVXKYARHQXHL-UHFFFAOYSA-N,
2,5-Dimethyl-3-bromobenzenemethanol,
ZINC39149754,
AKOS024085654,
Benzenemethanol, 3-bromo-2,5-dimethyl-,
DA-07718,
FT-0722700,
(3-bromo-2,5-dimethyl-phenyl)methanol,
CID10656303,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.09g/mol |
| Monoisotopic Mass | 213.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number