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130922-38-2 | BENZENE, 1,2-DIFLUORO-3-(METHYLTHIO)-
CAS No: 130922-38-2 Catalog No: AG000V4D MDL No:MFCD13185574
Product Description
Catalog Number:
AG000V4D
Chemical Name:
BENZENE, 1,2-DIFLUORO-3-(METHYLTHIO)-
CAS Number:
130922-38-2
Molecular Formula:
C7H6F2S
Molecular Weight:
160.1843
MDL Number:
MFCD13185574
IUPAC Name:
1,2-difluoro-3-methylsulfanylbenzene
InChI:
InChI=1S/C7H6F2S/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChI Key:
NNHPBLZNIVMRPQ-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1F)F
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.016g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.182g/mol
Monoisotopic Mass:
160.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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