| CAS Number | 730247-51-5 |
| Catalog Number | AG01AA5T(AGN-PC-0KG108) |
| Chemical Name | (4-Bromophenyl)methyl 2-hydroxybenzoate |
| IUPAC Name | (4-bromophenyl)methyl 2-hydroxybenzoate |
| InChI | InChI=1S/C14H11BrO3/c15-11-7-5-10(6-8-11)9-18-14(17)12-3-1-2-4-13(12)16/h1-8,16H,9H2 |
| InChI Key | CFRXPMSUVFUNGV-UHFFFAOYSA-N |
| MDL Number | MFCD06331064 |
| Molecular Formula | C14H11BrO3 |
| Molecular Weight | 307.1393 |
| SMILES | OC1=C(C(OCC2=CC=C(Br)C=C2)=O)C=CC=C1 |
| Synonyms | (4-bromophenyl)methyl 2-hydroxybenzoate,
730247-51-5,
AC1M73OC,
AC1Q7884,
ZINC3294958,
AKOS007957970,
MCULE-8503560772,
NE36667,
EN300-67146,
ZINC03294958,
CID2410528,
|
| Complexity | 274 |
| 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 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number