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Home > Nitro Compounds > 610-41-3
610-41-3 | 3,4-Dinitroaniline
CAS No: 610-41-3 Catalog No: AG0037EG MDL No:MFCD00456811
Product Description
Catalog Number:
AG0037EG
Chemical Name:
3,4-Dinitroaniline
CAS Number:
610-41-3
Molecular Formula:
C6H5N3O4
Molecular Weight:
183.1216
MDL Number:
MFCD00456811
IUPAC Name:
3,4-dinitroaniline
InChI:
InChI=1S/C6H5N3O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H,7H2
InChI Key:
IPZPZSUDOPUDPM-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.123g/mol
Monoisotopic Mass:
183.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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