Home Other Building Blocks 3,5-difluorobenzoyl isothiocyanate

3,5-difluorobenzoyl isothiocyanate

CAS No.:
926227-83-0
Catalog Number:
AG01B8C3
Molecular Formula:
C8H3F2NOS
Molecular Weight:
199.1773
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Product Description
Catalog Number:
AG01B8C3
Chemical Name:
3,5-difluorobenzoyl isothiocyanate
CAS Number:
926227-83-0
Molecular Formula:
C8H3F2NOS
Molecular Weight:
199.1773
MDL Number:
MFCD09045910
IUPAC Name:
3,5-difluorobenzoyl isothiocyanate
InChI:
InChI=1S/C8H3F2NOS/c9-6-1-5(2-7(10)3-6)8(12)11-4-13/h1-3H
InChI Key:
NDVOIVNOHLKKGA-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)c1cc(F)cc(c1)F
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.175g/mol
Monoisotopic Mass:
198.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties