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142011-16-3 | Naphthalene, 1-[difluoro(methylthio)methyl]-
CAS No: 142011-16-3 Catalog No: AG001HJM MDL No:
Product Description
Catalog Number:
AG001HJM
Chemical Name:
Naphthalene, 1-[difluoro(methylthio)methyl]-
CAS Number:
142011-16-3
Molecular Formula:
C12H10F2S
Molecular Weight:
224.2696
IUPAC Name:
1-[difluoro(methylsulfanyl)methyl]naphthalene
InChI:
InChI=1S/C12H10F2S/c1-15-12(13,14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChI Key:
DDKUVFORTWINAM-UHFFFAOYSA-N
SMILES:
CSC(c1cccc2c1cccc2)(F)F
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.269g/mol
Monoisotopic Mass:
224.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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