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Home > Nitro Compounds > 88357-14-6
88357-14-6 | Benzene, 1-[(1-methylethyl)thio]-4-(2-nitro-1-propenyl)-
CAS No: 88357-14-6 Catalog No: AG00457W MDL No:
Product Description
Catalog Number:
AG00457W
Chemical Name:
Benzene, 1-[(1-methylethyl)thio]-4-(2-nitro-1-propenyl)-
CAS Number:
88357-14-6
Molecular Formula:
C12H15NO2S
Molecular Weight:
237.3180
IUPAC Name:
1-(2-nitroprop-1-enyl)-4-propan-2-ylsulfanylbenzene
InChI:
InChI=1S/C12H15NO2S/c1-9(2)16-12-6-4-11(5-7-12)8-10(3)13(14)15/h4-9H,1-3H3
InChI Key:
GZPJKXVLRAMMRW-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc(cc1)C=C([N+](=O)[O-])C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.317g/mol
Monoisotopic Mass:
237.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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