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721925-29-7 | Benzenamine, 2-[(2-iodo-4-nitrophenyl)thio]-5-nitro-
CAS No: 721925-29-7 Catalog No: AG005JGJ MDL No:
Product Description
Catalog Number:
AG005JGJ
Chemical Name:
Benzenamine, 2-[(2-iodo-4-nitrophenyl)thio]-5-nitro-
CAS Number:
721925-29-7
Molecular Formula:
C12H8IN3O4S
Molecular Weight:
417.1791
IUPAC Name:
2-(2-iodo-4-nitrophenyl)sulfanyl-5-nitroaniline
InChI:
InChI=1S/C12H8IN3O4S/c13-9-5-7(15(17)18)1-3-11(9)21-12-4-2-8(16(19)20)6-10(12)14/h1-6H,14H2
InChI Key:
BYFSXLHUDXGPSG-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1Sc1ccc(cc1I)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.928g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.177g/mol
Monoisotopic Mass:
416.928g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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