Home Carboxys 6-(phenylamino)pyrimidine-4-carboxylic acid

6-(phenylamino)pyrimidine-4-carboxylic acid

CAS No.:
1208980-40-8
Catalog Number:
AG01BB0F
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
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Product Description
Catalog Number:
AG01BB0F
Chemical Name:
6-(phenylamino)pyrimidine-4-carboxylic acid
CAS Number:
1208980-40-8
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
MDL Number:
MFCD21884845
IUPAC Name:
6-anilinopyrimidine-4-carboxylic acid
InChI:
InChI=1S/C11H9N3O2/c15-11(16)9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H,(H,15,16)(H,12,13,14)
InChI Key:
IJVBWDVXGTVHQJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncnc(c1)Nc1ccccc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties