| CAS Number | 3762-39-8 |
| Catalog Number | AG00CNBQ(AGN-PC-0WOMUM) |
| Chemical Name | 1-(3-Bromophenyl)-2-methylpropan-2-ol |
| IUPAC Name | 1-(3-bromophenyl)-2-methylpropan-2-ol |
| InChI | InChI=1S/C10H13BrO/c1-10(2,12)7-8-4-3-5-9(11)6-8/h3-6,12H,7H2,1-2H3 |
| InChI Key | OLYJGZCFJLMCKV-UHFFFAOYSA-N |
| MDL Number | MFCD12153132 |
| Molecular Formula | C10H13BrO |
| Molecular Weight | 229.1136 |
| SMILES | CC(C)(CC1=CC(=CC=C1)Br)O |
| Synonyms | 1-(3-bromophenyl)-2-methylpropan-2-ol,
3762-39-8,
SCHEMBL1811937,
OLYJGZCFJLMCKV-UHFFFAOYSA-N,
ZINC37463551,
DA-06327,
FT-0733461,
Benzeneethanol, 3-bromo-alpha,alpha-dimethyl-,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.117g/mol |
| Monoisotopic Mass | 228.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number