Home Nitros 2-methyl-4,6-dinitro-aniline

2-methyl-4,6-dinitro-aniline

CAS No.:
7477-94-3
Catalog Number:
AG00599B
Molecular Formula:
C7H7N3O4
Molecular Weight:
197.1482
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Product Description
Catalog Number:
AG00599B
Chemical Name:
2-methyl-4,6-dinitro-aniline
CAS Number:
7477-94-3
Molecular Formula:
C7H7N3O4
Molecular Weight:
197.1482
IUPAC Name:
2-methyl-4,6-dinitroaniline
InChI:
InChI=1S/C7H7N3O4/c1-4-2-5(9(11)12)3-6(7(4)8)10(13)14/h2-3H,8H2,1H3
InChI Key:
CUUJSCZRXAFXIP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])N
NSC Number:
402841
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.044g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.15g/mol
Monoisotopic Mass:
197.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties