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866132-59-4 | 1-CHLORO-2-([(4-NITROPHENYL)SULFANYL]METHYL)BENZENE
CAS No: 866132-59-4 Catalog No: AG00H1ZD MDL No:MFCD03341001
Product Description
Catalog Number:
AG00H1ZD
Chemical Name:
1-CHLORO-2-([(4-NITROPHENYL)SULFANYL]METHYL)BENZENE
CAS Number:
866132-59-4
Molecular Formula:
C13H10ClNO2S
Molecular Weight:
279.7420
MDL Number:
MFCD03341001
IUPAC Name:
1-chloro-2-[(4-nitrophenyl)sulfanylmethyl]benzene
InChI:
InChI=1S/C13H10ClNO2S/c14-13-4-2-1-3-10(13)9-18-12-7-5-11(6-8-12)15(16)17/h1-8H,9H2
InChI Key:
HMJLAFGWFMNEPJ-UHFFFAOYSA-N
SMILES:
Clc1ccccc1CSc1ccc(cc1)[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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