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Home > Nitro Compounds > 88357-15-7
88357-15-7 | Benzene, 1-(2-nitro-1-propenyl)-4-[(phenylmethyl)thio]-
CAS No: 88357-15-7 Catalog No: AG00457V MDL No:
Product Description
Catalog Number:
AG00457V
Chemical Name:
Benzene, 1-(2-nitro-1-propenyl)-4-[(phenylmethyl)thio]-
CAS Number:
88357-15-7
Molecular Formula:
C16H15NO2S
Molecular Weight:
285.3608
IUPAC Name:
1-benzylsulfanyl-4-(2-nitroprop-1-enyl)benzene
InChI:
InChI=1S/C16H15NO2S/c1-13(17(18)19)11-14-7-9-16(10-8-14)20-12-15-5-3-2-4-6-15/h2-11H,12H2,1H3
InChI Key:
YOTYSDWQVOUYEA-UHFFFAOYSA-N
SMILES:
CC(=Cc1ccc(cc1)SCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.361g/mol
Monoisotopic Mass:
285.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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