| CAS Number | 693257-19-1 |
| Catalog Number | AG006GEI(AGN-PC-09PV8G) |
| Chemical Name | 2-(Benzyloxy)-4-bromobenzoic acid |
| IUPAC Name | 4-bromo-2-phenylmethoxybenzoic acid |
| InChI | InChI=1S/C14H11BrO3/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17) |
| InChI Key | BFEVNLBJIJNYRW-UHFFFAOYSA-N |
| MDL Number | MFCD11551598 |
| Molecular Formula | C14H11BrO3 |
| Molecular Weight | 307.1393 |
| SMILES | C(C1=CC=CC=C1)OC1=C(C(=O)O)C=CC(=C1)Br |
| Synonyms | 2-(BENZYLOXY)-4-BROMOBENZOIC ACID,
693257-19-1,
ACMC-209o7d,
SCHEMBL16898127,
CTK5C9426,
DTXSID90681362,
ANW-35639,
MFCD11551598,
ZINC37475138,
AKOS009393024,
AJ-94013,
TR-037507,
V7331,
A1-03668,
I01-11377,
C14H11BrO3,
2-(Benzyloxy)-4-bromobenzoicacid,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.143g/mol |
| Monoisotopic Mass | 305.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number