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1443345-39-8 | 1,3-Difluoro-4-[(3,4-difluorophenyl)sulfanylmethyl]benzene
CAS No: 1443345-39-8 Catalog No: AG01EU3R MDL No:
Product Description
Catalog Number:
AG01EU3R
Chemical Name:
1,3-Difluoro-4-[(3,4-difluorophenyl)sulfanylmethyl]benzene
CAS Number:
1443345-39-8
Molecular Formula:
C13H8F4S
Molecular Weight:
272.2612
IUPAC Name:
1-[(3,4-difluorophenyl)sulfanylmethyl]-2,4-difluorobenzene
InChI:
InChI=1S/C13H8F4S/c14-9-2-1-8(12(16)5-9)7-18-10-3-4-11(15)13(17)6-10/h1-6H,7H2
InChI Key:
LFBUHHVTFJOBOT-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)CSc1ccc(c(c1)F)F
Properties
Complexity:
263
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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