| CAS Number | 1375068-89-5 |
| Catalog Number | AG007LIY(AGN-PC-0J2CAJ) |
| Chemical Name | {3-[3-(Methylcarbamoyl)phenyl]phenyl}acetic acid |
| IUPAC Name | 2-[3-[3-(methylcarbamoyl)phenyl]phenyl]acetic acid |
| InChI | InChI=1S/C16H15NO3/c1-17-16(20)14-7-3-6-13(10-14)12-5-2-4-11(8-12)9-15(18)19/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19) |
| InChI Key | AQHSGRCMHPPOHN-UHFFFAOYSA-N |
| MDL Number | MFCD22205794 |
| Molecular Formula | C16H15NO3 |
| Molecular Weight | 269.2952 |
| SMILES | CNC(=O)c1cccc(c1)c1cccc(c1)CC(=O)O |
| Synonyms | 1375068-89-5,
2-(3'-(Methylcarbamoyl)-[1,1'-biphenyl]-3-yl)acetic acid,
{3-[3-(Methylcarbamoyl)phenyl]phenyl}acetic acid,
ACMC-209cd5,
CTK8B0649,
DTXSID30742981,
6590AA,
ANW-20295,
MFCD22205794,
ZINC85210199,
AJ-126477,
AX8243342,
TC-109040,
B-8655,
[3'-(Methylcarbamoyl)[1,1'-biphenyl]-3-yl]acetic acid,
C16H15NO3,
2-(3'-(Methylcarbamoyl)-[1,1'-biphenyl]-3-yl)aceticacid,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.3g/mol |
| Monoisotopic Mass | 269.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number