Home Aminos Benzoic acid, 3-(2-pyrimidinylamino)- (9CI)

Benzoic acid, 3-(2-pyrimidinylamino)- (9CI)

CAS No.:
198195-06-1
Catalog Number:
AG00ALI5
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
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Product Description
Catalog Number:
AG00ALI5
Chemical Name:
Benzoic acid, 3-(2-pyrimidinylamino)- (9CI)
CAS Number:
198195-06-1
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
MDL Number:
MFCD08445169
IUPAC Name:
3-(pyrimidin-2-ylamino)benzoic acid
InChI:
InChI=1S/C11H9N3O2/c15-10(16)8-3-1-4-9(7-8)14-11-12-5-2-6-13-11/h1-7H,(H,15,16)(H,12,13,14)
InChI Key:
JCCQTGJTDPBYJP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Nc1ncccn1
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:
1.6  
Properties