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Home > Fluorides > 1314969-42-0
1314969-42-0 | 2,2-Difluoro-1,3-benzodioxole-4-thiol
CAS No: 1314969-42-0 Catalog No: AG01FD0Q MDL No:
Product Description
Catalog Number:
AG01FD0Q
Chemical Name:
2,2-Difluoro-1,3-benzodioxole-4-thiol
CAS Number:
1314969-42-0
Molecular Formula:
C7H4F2O2S
Molecular Weight:
190.1673
IUPAC Name:
2,2-difluoro-1,3-benzodioxole-4-thiol
InChI:
InChI=1S/C7H4F2O2S/c8-7(9)10-4-2-1-3-5(12)6(4)11-7/h1-3,12H
InChI Key:
UEWDZAXBUOAIAU-UHFFFAOYSA-N
SMILES:
Sc1cccc2c1OC(O2)(F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.164g/mol
Monoisotopic Mass:
189.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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