Home Nitros N-(4-methylphenyl)-3-nitropyridin-4-amine

N-(4-methylphenyl)-3-nitropyridin-4-amine

CAS No.:
54696-69-4
Catalog Number:
AG01AFF2
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
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Product Description
Catalog Number:
AG01AFF2
Chemical Name:
N-(4-methylphenyl)-3-nitropyridin-4-amine
CAS Number:
54696-69-4
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
MDL Number:
MFCD27500833
IUPAC Name:
N-(4-methylphenyl)-3-nitropyridin-4-amine
InChI:
InChI=1S/C12H11N3O2/c1-9-2-4-10(5-3-9)14-11-6-7-13-8-12(11)15(16)17/h2-8H,1H3,(H,13,14)
InChI Key:
BDHDKEJEGMXGIL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1ccncc1[N+](=O)[O-]
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties