Home Nitros 2-Pyrimidinamine, 4-(4-nitrophenyl)-

2-Pyrimidinamine, 4-(4-nitrophenyl)-

CAS No.:
99361-84-9
Catalog Number:
AG00IK9S
Molecular Formula:
C10H8N4O2
Molecular Weight:
216.1961
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Product Description
Catalog Number:
AG00IK9S
Chemical Name:
2-Pyrimidinamine, 4-(4-nitrophenyl)-
CAS Number:
99361-84-9
Molecular Formula:
C10H8N4O2
Molecular Weight:
216.1961
MDL Number:
MFCD01940444
IUPAC Name:
4-(4-nitrophenyl)pyrimidin-2-amine
InChI:
InChI=1S/C10H8N4O2/c11-10-12-6-5-9(13-10)7-1-3-8(4-2-7)14(15)16/h1-6H,(H2,11,12,13)
InChI Key:
CEFMGOCCUMHYKX-UHFFFAOYSA-N
SMILES:
Nc1nccc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.065g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.2g/mol
Monoisotopic Mass:
216.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties