| CAS Number | 1103840-95-4 |
| Catalog Number | AG019NAN |
| Chemical Name | 2-[2-(4-Bromophenyl)acetamido]-2-phenylacetic acid |
| IUPAC Name | 2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetic acid |
| InChI | InChI=1S/C16H14BrNO3/c17-13-8-6-11(7-9-13)10-14(19)18-15(16(20)21)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,18,19)(H,20,21) |
| InChI Key | NQFMXLKOWKQYMG-UHFFFAOYSA-N |
| MDL Number | MFCD09733931 |
| Molecular Formula | C16H14BrNO3 |
| Molecular Weight | 348.1913 |
| SMILES | OC(C(C1=CC=CC=C1)NC(CC1=CC=C(Br)C=C1)=O)=O |
| Synonyms | 2-[2-(4-bromophenyl)acetamido]-2-phenylacetic acid,
1103840-95-4,
{[(4-bromophenyl)acetyl]amino}(phenyl)acetic acid,
AC1Q71SG,
CTK7G4095,
AKOS000144558,
AKOS017272687,
MCULE-4589122707,
NE22836,
EN300-39824,
Z85969030,
([(4-bromophenyl)acetyl]amino)(phenyl)acetic acid,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.196g/mol |
| Monoisotopic Mass | 347.016g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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