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1443339-36-3 | 2,5-Difluorobenzyl ethyl sulfide
CAS No: 1443339-36-3 Catalog No: AG01FEQ4 MDL No:
Product Description
Catalog Number:
AG01FEQ4
Chemical Name:
2,5-Difluorobenzyl ethyl sulfide
CAS Number:
1443339-36-3
Molecular Formula:
C9H10F2S
Molecular Weight:
188.2375
IUPAC Name:
2-(ethylsulfanylmethyl)-1,4-difluorobenzene
InChI:
InChI=1S/C9H10F2S/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5H,2,6H2,1H3
InChI Key:
VDFNGGICQZUBJQ-UHFFFAOYSA-N
SMILES:
CCSCc1cc(F)ccc1F
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.236g/mol
Monoisotopic Mass:
188.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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