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Home > Nitro Compounds > 306729-95-3
306729-95-3 | 2-(cyclohexylsulfanyl)-N-(3-nitrophenyl)acetamide
CAS No: 306729-95-3 Catalog No: AG00IUOP MDL No:MFCD00169088
Product Description
Catalog Number:
AG00IUOP
Chemical Name:
2-(cyclohexylsulfanyl)-N-(3-nitrophenyl)acetamide
CAS Number:
306729-95-3
Molecular Formula:
C14H18N2O3S
Molecular Weight:
294.3693
MDL Number:
MFCD00169088
IUPAC Name:
2-cyclohexylsulfanyl-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C14H18N2O3S/c17-14(10-20-13-7-2-1-3-8-13)15-11-5-4-6-12(9-11)16(18)19/h4-6,9,13H,1-3,7-8,10H2,(H,15,17)
InChI Key:
DOBUVUNXVIABDZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)[N+](=O)[O-])CSC1CCCCC1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.369g/mol
Monoisotopic Mass:
294.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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