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Home > Nitro Compounds > 898808-59-8
898808-59-8 | 3-(cyclohexylthio)-5-nitroaniline
CAS No: 898808-59-8 Catalog No: AG00J6WM MDL No:MFCD03419518
Product Description
Catalog Number:
AG00J6WM
Chemical Name:
3-(cyclohexylthio)-5-nitroaniline
CAS Number:
898808-59-8
Molecular Formula:
C12H16N2O2S
Molecular Weight:
252.3326
MDL Number:
MFCD03419518
IUPAC Name:
3-cyclohexylsulfanyl-5-nitroaniline
InChI:
InChI=1S/C12H16N2O2S/c13-9-6-10(14(15)16)8-12(7-9)17-11-4-2-1-3-5-11/h6-8,11H,1-5,13H2
InChI Key:
WARDSNBFFKRZAZ-UHFFFAOYSA-N
SMILES:
Nc1cc(SC2CCCCC2)cc(c1)[N+](=O)[O-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.332g/mol
Monoisotopic Mass:
252.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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