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206559-57-1 | Benzene, 1,4-difluoro-2-isothiocyanato-
CAS No: 206559-57-1 Catalog No: AG002IK2 MDL No:MFCD00041046
Product Description
Catalog Number:
AG002IK2
Chemical Name:
Benzene, 1,4-difluoro-2-isothiocyanato-
CAS Number:
206559-57-1
Molecular Formula:
C7H3F2NS
Molecular Weight:
171.1672
MDL Number:
MFCD00041046
IUPAC Name:
1,4-difluoro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H3F2NS/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChI Key:
QVIDXDRFMDPVLA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1N=C=S)F
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.165g/mol
Monoisotopic Mass:
170.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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