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2045-53-6 | Ethane, 2,2-dichloro-1,1-difluoro-1-(methylthio)-
CAS No: 2045-53-6 Catalog No: AG0029JG MDL No:MFCD20623886
Product Description
Catalog Number:
AG0029JG
Chemical Name:
Ethane, 2,2-dichloro-1,1-difluoro-1-(methylthio)-
CAS Number:
2045-53-6
Molecular Formula:
C3H4Cl2F2S
Molecular Weight:
181.0317
MDL Number:
MFCD20623886
IUPAC Name:
2,2-dichloro-1,1-difluoro-1-methylsulfanylethane
InChI:
InChI=1S/C3H4Cl2F2S/c1-8-3(6,7)2(4)5/h2H,1H3
InChI Key:
BJMNUMOCQIVWFA-UHFFFAOYSA-N
SMILES:
CSC(C(Cl)Cl)(F)F
Properties
Complexity:
75.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.938g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.022g/mol
Monoisotopic Mass:
179.938g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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