| CAS Number | 1016857-62-7 |
| Catalog Number | AG019V5C |
| Chemical Name | 2-(4-[(3-Bromobenzene)amido]phenyl)acetic acid |
| IUPAC Name | 2-[4-[(3-bromobenzoyl)amino]phenyl]acetic acid |
| InChI | InChI=1S/C15H12BrNO3/c16-12-3-1-2-11(9-12)15(20)17-13-6-4-10(5-7-13)8-14(18)19/h1-7,9H,8H2,(H,17,20)(H,18,19) |
| InChI Key | GIVCBIRYYDUQKC-UHFFFAOYSA-N |
| MDL Number | MFCD09937023 |
| Molecular Formula | C15H12BrNO3 |
| Molecular Weight | 334.1647 |
| SMILES | OC(CC1=CC=C(NC(C2=CC(Br)=CC=C2)=O)C=C1)=O |
| Synonyms | 2-[4-(3-bromobenzamido)phenyl]acetic acid,
1016857-62-7,
2-{4-[(3-bromobenzene)amido]phenyl}acetic acid,
AC1Q74XX,
CTK8F3982,
ZINC13439500,
AKOS000105085,
MCULE-5105583622,
NE19645,
EN300-43801,
Z224199562,
2-(4-[(3-bromobenzene)amido]phenyl)acetic acid,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.169g/mol |
| Monoisotopic Mass | 333g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number