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88275-95-0 | Benzene, 1-chloro-4-[[(4-nitrophenyl)methyl]thio]-
CAS No: 88275-95-0 Catalog No: AG004BJS MDL No:MFCD00814120
Product Description
Catalog Number:
AG004BJS
Chemical Name:
Benzene, 1-chloro-4-[[(4-nitrophenyl)methyl]thio]-
CAS Number:
88275-95-0
Molecular Formula:
C13H10ClNO2S
Molecular Weight:
279.7420
MDL Number:
MFCD00814120
IUPAC Name:
1-[(4-chlorophenyl)sulfanylmethyl]-4-nitrobenzene
InChI:
InChI=1S/C13H10ClNO2S/c14-11-3-7-13(8-4-11)18-9-10-1-5-12(6-2-10)15(16)17/h1-8H,9H2
InChI Key:
AMENOOOERGYSAM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.738g/mol
Monoisotopic Mass:
279.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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