| CAS Number | 1155261-80-5 |
| Catalog Number | AG00HD0J(AGN-PC-0WB0RT) |
| Chemical Name | Methyl 5-bromo-4-hydroxy-[1,1'-biphenyl]-3-carboxylate |
| IUPAC Name | methyl 3-bromo-2-hydroxy-5-phenylbenzoate |
| InChI | InChI=1S/C14H11BrO3/c1-18-14(17)11-7-10(8-12(15)13(11)16)9-5-3-2-4-6-9/h2-8,16H,1H3 |
| InChI Key | NVEYPUXDUGVYHA-UHFFFAOYSA-N |
| MDL Number | MFCD22573529 |
| Molecular Formula | C14H11BrO3 |
| Molecular Weight | 307.1393 |
| SMILES | [Br]C1(=C(O)C(C(=O)OC)=CC(=C1)C2(=CC=CC=C2)) |
| Synonyms | methyl 3-bromo-2-hydroxy-5-phenylbenzoate,
1155261-80-5,
Methyl 5-bromo-4-hydroxy-[1,1'-biphenyl]-3-carboxylate,
KS-000027JZ,
ZX-RL000593,
9572AC,
MFCD22573529,
ZINC80943385,
AKOS015996873,
LG-0018,
OR303099,
C14H11BrO3,
|
| Complexity | 289 |
| 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 | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number