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10199-87-8 | 1,3-Benzenediamine, 2,4-dinitro-
CAS No: 10199-87-8 Catalog No: AG00066Q MDL No:
Product Description
Catalog Number:
AG00066Q
Chemical Name:
1,3-Benzenediamine, 2,4-dinitro-
CAS Number:
10199-87-8
Molecular Formula:
C6H6N4O4
Molecular Weight:
198.1362
IUPAC Name:
2,4-dinitrobenzene-1,3-diamine
InChI:
InChI=1S/C6H6N4O4/c7-3-1-2-4(9(11)12)5(8)6(3)10(13)14/h1-2H,7-8H2
InChI Key:
XLAYMSZDBFRXOO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1N)[N+](=O)[O-])N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.138g/mol
Monoisotopic Mass:
198.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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