200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1027513-10-5
1027513-10-5 | 3-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate
CAS No: 1027513-10-5 Catalog No: AG01F2R3 MDL No:MFCD09800717
Product Description
Catalog Number:
AG01F2R3
Chemical Name:
3-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate
CAS Number:
1027513-10-5
Molecular Formula:
C8H3F4NS
Molecular Weight:
221.1747
MDL Number:
MFCD09800717
IUPAC Name:
1-fluoro-3-isothiocyanato-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3F4NS/c9-6-1-5(8(10,11)12)2-7(3-6)13-4-14/h1-3H
InChI Key:
JVRZULHQGCMNER-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(F)cc(c1)C(F)(F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.173g/mol
Monoisotopic Mass:
220.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.