Home Halogens 3-[(4-chlorophenyl)amino]propanoic acid

3-[(4-chlorophenyl)amino]propanoic acid

CAS No.:
21617-19-6
Catalog Number:
AG00BNTJ
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
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Product Description
Catalog Number:
AG00BNTJ
Chemical Name:
3-[(4-chlorophenyl)amino]propanoic acid
CAS Number:
21617-19-6
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD00831705
IUPAC Name:
3-(4-chloroanilino)propanoic acid
InChI:
InChI=1S/C9H10ClNO2/c10-7-1-3-8(4-2-7)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChI Key:
YQOYIDOVKCGQTJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCNc1ccc(cc1)Cl
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties