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89807-45-4 | Benzene, 1-[(chlorodifluoromethyl)thio]-4-(chloromethyl)-
CAS No: 89807-45-4 Catalog No: AG003Y6P MDL No:
Product Description
Catalog Number:
AG003Y6P
Chemical Name:
Benzene, 1-[(chlorodifluoromethyl)thio]-4-(chloromethyl)-
CAS Number:
89807-45-4
Molecular Formula:
C8H6Cl2F2S
Molecular Weight:
243.1010
IUPAC Name:
1-[chloro(difluoro)methyl]sulfanyl-4-(chloromethyl)benzene
InChI:
InChI=1S/C8H6Cl2F2S/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChI Key:
MOJJLHMYNZTHLT-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)SC(Cl)(F)F
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.954g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.093g/mol
Monoisotopic Mass:
241.954g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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