| CAS Number | 459430-90-1 |
| Catalog Number | AG00IT1U(AGN-PC-0WB0PP) |
| Chemical Name | [4-(benzyloxy)-3-bromophenyl]methanol |
| IUPAC Name | (3-bromo-4-phenylmethoxyphenyl)methanol |
| InChI | InChI=1S/C14H13BrO2/c15-13-8-12(9-16)6-7-14(13)17-10-11-4-2-1-3-5-11/h1-8,16H,9-10H2 |
| InChI Key | LDXCLIDRDMAUAX-UHFFFAOYSA-N |
| MDL Number | MFCD09338347 |
| Molecular Formula | C14H13BrO2 |
| Molecular Weight | 293.1558 |
| SMILES | [Br]C2(=C(OCC1(=CC=CC=C1))C=CC(=C2)CO) |
| Synonyms | [4-(benzyloxy)-3-bromophenyl]methanol,
459430-90-1,
(4-(Benzyloxy)-3-bromophenyl)methanol,
benzyloxybromophenylmethanol,
SCHEMBL1989845,
CTK8A2774,
LDXCLIDRDMAUAX-UHFFFAOYSA-N,
ZINC8752890,
4-(benzyloxy)-3-bromophenylmethanol,
MFCD09338347,
AKOS005073310,
LC-0748,
MCULE-9983290954,
RP15860,
KS-000027H0,
AJ-59222,
TR-065215,
AB00987547-01,
Z235448532,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.16g/mol |
| Monoisotopic Mass | 292.01g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number