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Home > Nitro Compounds > 88357-19-1
88357-19-1 | Benzene, 1-(heptylthio)-4-(2-nitro-1-propenyl)-
CAS No: 88357-19-1 Catalog No: AG00457T MDL No:
Product Description
Catalog Number:
AG00457T
Chemical Name:
Benzene, 1-(heptylthio)-4-(2-nitro-1-propenyl)-
CAS Number:
88357-19-1
Molecular Formula:
C16H23NO2S
Molecular Weight:
293.4243
IUPAC Name:
1-heptylsulfanyl-4-(2-nitroprop-1-enyl)benzene
InChI:
InChI=1S/C16H23NO2S/c1-3-4-5-6-7-12-20-16-10-8-15(9-11-16)13-14(2)17(18)19/h8-11,13H,3-7,12H2,1-2H3
InChI Key:
PMAKJNUHAYKVMA-UHFFFAOYSA-N
SMILES:
CCCCCCCSc1ccc(cc1)C=C([N+](=O)[O-])C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.145g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.425g/mol
Monoisotopic Mass:
293.145g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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