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851759-17-6 | 1,2,4-Benzenetriamine, 3-nitro-
CAS No: 851759-17-6 Catalog No: AG004WCK MDL No:
Product Description
Catalog Number:
AG004WCK
Chemical Name:
1,2,4-Benzenetriamine, 3-nitro-
CAS Number:
851759-17-6
Molecular Formula:
C6H8N4O2
Molecular Weight:
168.1533
IUPAC Name:
3-nitrobenzene-1,2,4-triamine
InChI:
InChI=1S/C6H8N4O2/c7-3-1-2-4(8)6(5(3)9)10(11)12/h1-2H,7-9H2
InChI Key:
VDUKPKOFTADTHG-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1N)[N+](=O)[O-])N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.156g/mol
Monoisotopic Mass:
168.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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