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1314964-99-2 | 4-Chloro-3-fluorophenyl methyl sulfide
CAS No: 1314964-99-2 Catalog No: AG01FCMM MDL No:
Product Description
Catalog Number:
AG01FCMM
Chemical Name:
4-Chloro-3-fluorophenyl methyl sulfide
CAS Number:
1314964-99-2
Molecular Formula:
C7H6ClFS
Molecular Weight:
176.6389
IUPAC Name:
1-chloro-2-fluoro-4-methylsulfanylbenzene
InChI:
InChI=1S/C7H6ClFS/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChI Key:
GCUYUCRKKIWERP-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)F)Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.633g/mol
Monoisotopic Mass:
175.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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