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1443344-51-1 | 1,3-Difluoro-5-[(3,4-difluorophenyl)sulfanylmethyl]benzene
CAS No: 1443344-51-1 Catalog No: AG01EU39 MDL No:
Product Description
Catalog Number:
AG01EU39
Chemical Name:
1,3-Difluoro-5-[(3,4-difluorophenyl)sulfanylmethyl]benzene
CAS Number:
1443344-51-1
Molecular Formula:
C13H8F4S
Molecular Weight:
272.2612
IUPAC Name:
1-[(3,4-difluorophenyl)sulfanylmethyl]-3,5-difluorobenzene
InChI:
InChI=1S/C13H8F4S/c14-9-3-8(4-10(15)5-9)7-18-11-1-2-12(16)13(17)6-11/h1-6H,7H2
InChI Key:
BRVKMIXNYAWDBO-UHFFFAOYSA-N
SMILES:
Fc1cc(CSc2ccc(c(c2)F)F)cc(c1)F
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.261g/mol
Monoisotopic Mass:
272.028g/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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