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87740-11-2 | Benzene, 1-[[(4-chlorophenyl)methyl]thio]-3-nitro-
CAS No: 87740-11-2 Catalog No: AG004LNO MDL No:
Product Description
Catalog Number:
AG004LNO
Chemical Name:
Benzene, 1-[[(4-chlorophenyl)methyl]thio]-3-nitro-
CAS Number:
87740-11-2
Molecular Formula:
C13H10ClNO2S
Molecular Weight:
279.7420
IUPAC Name:
1-[(4-chlorophenyl)methylsulfanyl]-3-nitrobenzene
InChI:
InChI=1S/C13H10ClNO2S/c14-11-6-4-10(5-7-11)9-18-13-3-1-2-12(8-13)15(16)17/h1-8H,9H2
InChI Key:
YLPBYMCXDVBFKA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CSc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
277
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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