N- (4-chlorophenyl) succinamic acid

CAT: 0127-OR1037830-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1037830-01Size:5 g

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CAS Number

17722-52-0

MDL Number

MFCD00029843

Purity

98%

Smiles

C1=C(C=CC(=C1)NC(=O)CCC(=O)O)Cl

Chemical Information

4'-Chlorosuccinanilic acid

CAS Number	17722-52-0
PubChem CID	223382
IUPAC Name	4-(4-chloroanilino)-4-oxobutanoic acid
Molecular Formula	C10H10ClNO3
Molecular Weight	227.64
XLogP	1.2
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	237

SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)O)Cl

InChI

InChI=1S/C10H10ClNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)

InChIKey

UPSNSRKMOHOEEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17722-52-0

CID: 223382

Formula: C10H10ClNO3

MW: 227.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.64
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	227.0349209
Monoisotopic Mass	227.0349209
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1053779-01	2- (4-Chlorophenyl) succinic acid
OR97265	N-Methyl-2-methylene-succinamic acid
OR8143-01	N- (Pyridin-3-yl) succinamic acid
OR82521-01	4- (N- (4-chlorophenyl) sulfamoyl) benzoic acid
OR346120-01	N-tert-Butyl-2-methylene-succinamic acid
OR72598	2-[ (4-Chlorophenyl) thio]succinic acid
OR84598	3- (N-allyl-N- (4-chlorophenyl) sulfamoyl) -4-chlorobenzoic acid
OR85292-01	4- (4-Chlorophenyl) picolinic acid
OR75160-01	4- (4-Chlorophenyl) butyric acid
OR75631-01	4- (4-Chlorophenyl) cyclohexanecarboxylic acid

Catalog	Name
sc-253071	N- (4-Phenylboronic) succinamic acid
sc-235931	N- (4-Carboxyphenyl) succinamic acid
sc-339845A	2- (4-Chloro-benzoylamino) -succinamic acid
sc-331430	N-Pyridin-4-yl-succinamic acid
sc-334931	2- (Toluene-4-sulfonylamino) -succinamic acid
sc-330973	N-[4- (Morpholine-4-sulfonyl) -phenyl]-succinamic acid
sc-330089	N- (4-Morpholin-4-ylmethyl-phenyl) -succinamic acid
sc-311574	2- (4-Chlorobenzyl) -N- (4-methoxyphenyl) -succinamic acid
sc-329194	N- (2,6-Dimethoxypyrimidin-4-yl) succinamic acid
sc-306945	2-Benzyl-N- (4-fluoro-phenyl) -succinamic acid