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89039-19-0 | Benzene, 1-[1-chloro-2-[(4-methylphenyl)thio]ethyl]-3-nitro-
CAS No: 89039-19-0 Catalog No: AG0043C0 MDL No:
Product Description
Catalog Number:
AG0043C0
Chemical Name:
Benzene, 1-[1-chloro-2-[(4-methylphenyl)thio]ethyl]-3-nitro-
CAS Number:
89039-19-0
Molecular Formula:
C15H14ClNO2S
Molecular Weight:
307.7952
IUPAC Name:
1-[1-chloro-2-(4-methylphenyl)sulfanylethyl]-3-nitrobenzene
InChI:
InChI=1S/C15H14ClNO2S/c1-11-5-7-14(8-6-11)20-10-15(16)12-3-2-4-13(9-12)17(18)19/h2-9,15H,10H2,1H3
InChI Key:
PPRRUPOHXCVQKH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SCC(c1cccc(c1)[N+](=O)[O-])Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.043g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.792g/mol
Monoisotopic Mass:
307.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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