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Home > Nitro Compounds > 43156-47-4
43156-47-4 | 2-Nitro-5-(phenylthio)aniline
CAS No: 43156-47-4 Catalog No: AG0038PN MDL No:MFCD00129835
Product Description
Catalog Number:
AG0038PN
Chemical Name:
2-Nitro-5-(phenylthio)aniline
CAS Number:
43156-47-4
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
MDL Number:
MFCD00129835
IUPAC Name:
2-nitro-5-phenylsulfanylaniline
InChI:
InChI=1S/C12H10N2O2S/c13-11-8-10(6-7-12(11)14(15)16)17-9-4-2-1-3-5-9/h1-8H,13H2
InChI Key:
AJGJUXSVUPXOHL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1N)Sc1ccccc1
EC Number:
256-121-6
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.284g/mol
Monoisotopic Mass:
246.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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