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79962-31-5 | Benzene, 1,2-dichloro-3-[[2-(chloromethyl)phenyl]thio]-
CAS No: 79962-31-5 Catalog No: AG005EX9 MDL No:
Product Description
Catalog Number:
AG005EX9
Chemical Name:
Benzene, 1,2-dichloro-3-[[2-(chloromethyl)phenyl]thio]-
CAS Number:
79962-31-5
Molecular Formula:
C13H9Cl3S
Molecular Weight:
303.6346
IUPAC Name:
1,2-dichloro-3-[2-(chloromethyl)phenyl]sulfanylbenzene
InChI:
InChI=1S/C13H9Cl3S/c14-8-9-4-1-2-6-11(9)17-12-7-3-5-10(15)13(12)16/h1-7H,8H2
InChI Key:
XXXQPFMTMGRVBQ-UHFFFAOYSA-N
SMILES:
ClCc1ccccc1Sc1cccc(c1Cl)Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.949g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.625g/mol
Monoisotopic Mass:
301.949g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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