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127923-96-0 | Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]-
CAS No: 127923-96-0 Catalog No: AG000XKD MDL No:
Product Description
Catalog Number:
AG000XKD
Chemical Name:
Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]-
CAS Number:
127923-96-0
Molecular Formula:
C12H9N3O4S
Molecular Weight:
291.2826
IUPAC Name:
2-nitro-4-(4-nitrophenyl)sulfanylaniline
InChI:
InChI=1S/C12H9N3O4S/c13-11-6-5-10(7-12(11)15(18)19)20-9-3-1-8(2-4-9)14(16)17/h1-7H,13H2
InChI Key:
CCZYAADVWIVMMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Sc1ccc(c(c1)[N+](=O)[O-])N
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.281g/mol
Monoisotopic Mass:
291.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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