Home Nitros Benzenamine, 3-nitro-N-propyl-

Benzenamine, 3-nitro-N-propyl-

CAS No.:
87035-66-3
Catalog Number:
AG004GMH
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG004GMH
Chemical Name:
Benzenamine, 3-nitro-N-propyl-
CAS Number:
87035-66-3
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD00051836
IUPAC Name:
3-nitro-N-propylaniline
InChI:
InChI=1S/C9H12N2O2/c1-2-6-10-8-4-3-5-9(7-8)11(12)13/h3-5,7,10H,2,6H2,1H3
InChI Key:
YNDCZIHAGOFRFB-UHFFFAOYSA-N
SMILES:
CCCNc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties