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Home Halogens 2-[(4-chloro-2-cyanophenyl)(methyl)amino]acetic acid

2-[(4-chloro-2-cyanophenyl)(methyl)amino]acetic acid

CAS No.:
1341043-18-2
Catalog Number:
AG01AP1C
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
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Product Description
Catalog Number:
AG01AP1C
Chemical Name:
2-[(4-chloro-2-cyanophenyl)(methyl)amino]acetic acid
CAS Number:
1341043-18-2
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
MDL Number:
MFCD16778080
IUPAC Name:
2-(4-chloro-2-cyano-N-methylanilino)acetic acid
InChI:
InChI=1S/C10H9ClN2O2/c1-13(6-10(14)15)9-3-2-8(11)4-7(9)5-12/h2-4H,6H2,1H3,(H,14,15)
InChI Key:
WOXLXDQQQWNWKT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1N(CC(=O)O)C
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties