Home Nitriles 5-amino-4-methyl-2-nitrobenzonitrile

5-amino-4-methyl-2-nitrobenzonitrile

CAS No.:
1803596-76-0
Catalog Number:
AG01BBTN
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
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Product Description
Catalog Number:
AG01BBTN
Chemical Name:
5-amino-4-methyl-2-nitrobenzonitrile
CAS Number:
1803596-76-0
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD28714607
IUPAC Name:
5-amino-4-methyl-2-nitrobenzonitrile
InChI:
InChI=1S/C8H7N3O2/c1-5-2-8(11(12)13)6(4-9)3-7(5)10/h2-3H,10H2,1H3
InChI Key:
RFDGPPOWEUHVOA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)c(cc1[N+](=O)[O-])C
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties