| CAS Number | 448199-11-9 |
| Catalog Number | AG019HN0 |
| Chemical Name | 3-[(2-chlorophenyl)formamido]-3-phenylpropanoic acid |
| IUPAC Name | 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C16H14ClNO3/c17-13-9-5-4-8-12(13)16(21)18-14(10-15(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,21)(H,19,20) |
| InChI Key | MVVMUFGXEHCLPW-UHFFFAOYSA-N |
| MDL Number | MFCD00700129 |
| Molecular Formula | C16H14ClNO3 |
| Molecular Weight | 303.7403 |
| SMILES | OC(CC(C1=CC=CC=C1)NC(C1=C(Cl)C=CC=C1)=O)=O |
| Synonyms | 3-(2-Chloro-benzoylamino)-3-phenyl-propionic acid,
3-[(2-chlorophenyl)formamido]-3-phenylpropanoic acid,
448199-11-9,
TimTec1_006845,
AC1MJU2P,
Oprea1_485800,
Oprea1_515562,
AC1Q74T3,
CTK7J1777,
HMS1553H03,
AKOS000122552,
AKOS016880111,
MCULE-2708142999,
NE27655,
3-(2-chlorobenzamido)-3-phenylpropanoic acid,
EN300-04076,
SR-01000313762,
3-[(2-chlorobenzoyl)amino]-3-phenylpropanoic acid,
SR-01000313762-1,
CID3143066,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.742g/mol |
| Monoisotopic Mass | 303.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number