Home Halogens 2-chloro-5-((4,6-dimethylpyrimidin-2-yl)amino)benzoic acid

2-chloro-5-((4,6-dimethylpyrimidin-2-yl)amino)benzoic acid

CAS No.:
900771-94-0
Catalog Number:
AG01BJAD
Molecular Formula:
C13H12ClN3O2
Molecular Weight:
277.7063
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Product Description
Catalog Number:
AG01BJAD
Chemical Name:
2-chloro-5-((4,6-dimethylpyrimidin-2-yl)amino)benzoic acid
CAS Number:
900771-94-0
Molecular Formula:
C13H12ClN3O2
Molecular Weight:
277.7063
MDL Number:
MFCD08111598
IUPAC Name:
2-chloro-5-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
InChI:
InChI=1S/C13H12ClN3O2/c1-7-5-8(2)16-13(15-7)17-9-3-4-11(14)10(6-9)12(18)19/h3-6H,1-2H3,(H,18,19)(H,15,16,17)
InChI Key:
GVVZIESYJZRTOE-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(n1)Nc1ccc(c(c1)C(=O)O)Cl
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.062g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.708g/mol
Monoisotopic Mass:
277.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties