Home Amines 1221792-51-3
1221792-51-3,MFCD16140270
Catalog No.:AA00IXI2
1221792-51-3 | N-Chloroacetyl-3-aminophenylacetic acid
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Technical Information
Catalog Number:
AA00IXI2
Chemical Name:
N-Chloroacetyl-3-aminophenylacetic acid
CAS Number:
1221792-51-3
Molecular Formula:
C10H10ClNO3
Molecular Weight:
227.6443
MDL Number:
MFCD16140270
IUPAC Name:
2-[3-[(2-chloroacetyl)amino]phenyl]acetic acid
InChI:
InChI=1S/C10H10ClNO3/c11-6-9(13)12-8-3-1-2-7(4-8)5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChI Key:
JEGAALXSTQWCQY-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1cccc(c1)CC(=O)O
Properties
Computed Properties
 
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.644g/mol
Monoisotopic Mass:
227.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
N-Chloroacetyl-3-aminophenylacetic acid 
1221792-51-3 
SS-3946 
[3-(2-chloroacetamido)phenyl]acetic acid 
AJ-109041 
2-[3-(2-chloroacetylamino)phenyl]acetic acid 
2-(3-(2-Chloroacetamido)phenyl)acetic acid 
CTK6H5591 
KS-00002B3V 
MFCD16140270 
SBB097189 
ZINC43828304 
AKOS005073898 
RP13117 
Literature
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