Home Other Building Blocks 4-(2-AMINOPYRIMIDIN-4-YL)BENZOIC ACID

4-(2-AMINOPYRIMIDIN-4-YL)BENZOIC ACID

CAS No.:
216959-98-7
Catalog Number:
AG00C3HJ
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00C3HJ
Chemical Name:
4-(2-AMINOPYRIMIDIN-4-YL)BENZOIC ACID
CAS Number:
216959-98-7
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
MDL Number:
MFCD03407445
IUPAC Name:
4-(2-aminopyrimidin-4-yl)benzoic acid
InChI:
InChI=1S/C11H9N3O2/c12-11-13-6-5-9(14-11)7-1-3-8(4-2-7)10(15)16/h1-6H,(H,15,16)(H2,12,13,14)
InChI Key:
STTNRXJTCMXMSX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccnc(n1)N
Properties
Complexity:
252  
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:
2  
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties