AG007ZYC

13450-77-6 | 2-(4-Chlorobenzamido)acetic acid

AG007ZYC

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CAS Number	13450-77-6
Catalog Number	AG007ZYC(AGN-PC-0JKIJF)
Chemical Name	2-(4-Chlorobenzamido)acetic acid
IUPAC Name	2-[(4-chlorobenzoyl)amino]acetic acid
InChI	InChI=1S/C9H8ClNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChI Key	COYZIYOEXGRBHQ-UHFFFAOYSA-N
MDL Number	MFCD00020447
Molecular Formula	C9H8ClNO3
Molecular Weight	213.6177
SMILES	OC(=O)CNC(=O)C1=CC=C(Cl)C=C1
UNII	92HJ692NVA
Synonyms	4-chlorobenzoylglycine, 4-chlorohippuric acid, 4-chlorohippuric acid, potassium salt, 4-chlorohippuric acid, silver salt, 4-chlorohippuric acid, sodium salt, 13450-77-6, 4-Chlorohippuric acid, 2-(4-Chlorobenzamido)acetic acid, p-Chlorohippuric acid, 2-[(4-chlorobenzoyl)amino]acetic acid, (4-Chloro-benzoylamino)-acetic acid, N-(p-Chlorobenzoyl)glycine, p-Chlorobenzoylglycine, 4-Chlorobenzoylglycine, HIPPURIC ACID, p-CHLORO-, N-(4-Chlorobenzoyl)glycine, UNII-92HJ692NVA, 2-[(4-chlorophenyl)formamido]acetic acid, Glycine, N-(4-chlorobenzoyl)-, CHEMBL462, BRN 1110511, AI3-30805, 92HJ692NVA, Glycine,N-(4-chlorobenzoyl)-, [(4-chlorophenyl)formamido]acetic acid, 2-[(4-chlorophenyl)carbonylamino]acetic acid, AC1L1A7U, AC1Q75YF, AC1Q75YG, Cambridge id 5190259, Oprea1_302425, Oprea1_822134, 3-09-00-01364 (Beilstein Handbook Reference), ARONIS020736, SCHEMBL4002486, CTK4B9215, KS-00001VAE, ZINC38796, DTXSID40158756, COYZIYOEXGRBHQ-UHFFFAOYSA-N, (4-Chloro-benzoylamino)acetic acid, 6209AA, ANW-55737, BDBM50016616, MFCD00020447, N-[(4-chlorophenyl)carbonyl]glycine, SBB004563, STK036747, AKOS000114598, MCULE-8225197193, NE54139, RP12392, Glycine, N-(4-chlorobenzoyl)- (9CI), AJ-08802, AK-58264, LS-75809, ST055065, TR-004669, FT-0680270, EN300-00184, 3E-929, SR-01000412838, J-505936, SR-01000412838-1, I01-14238, Z56840113, F0345-3965, C9H8ClNO3, C9-H8-Cl-N-O3, 2-(4-Chlorobenzamido)aceticacid, CID26009, (3-Chloro-benzoylamino)-acetic acid, AB01274, 57728-59-3,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.019g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	213.617g/mol
Monoisotopic Mass	213.019g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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