Home Halogens 6-Amino-5-chloronicotinic acid

6-Amino-5-chloronicotinic acid

CAS No.:
41668-11-5
Catalog Number:
AG00CL8B
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
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Product Description
Catalog Number:
AG00CL8B
Chemical Name:
6-Amino-5-chloronicotinic acid
CAS Number:
41668-11-5
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
MDL Number:
MFCD11132184
IUPAC Name:
6-amino-5-chloropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H5ClN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)
InChI Key:
ODKOPTSSZHBINK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(c(c1)Cl)N
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.568g/mol
Monoisotopic Mass:
172.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties