200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 512179-73-6
512179-73-6 | 2,5-Bis(trifluoromethyl)phenylisothiocyanate
CAS No: 512179-73-6 Catalog No: AG01EWAK MDL No:MFCD09878103
Product Description
Catalog Number:
AG01EWAK
Chemical Name:
2,5-Bis(trifluoromethyl)phenylisothiocyanate
CAS Number:
512179-73-6
Molecular Formula:
C9H3F6NS
Molecular Weight:
271.1822
MDL Number:
MFCD09878103
IUPAC Name:
2-isothiocyanato-1,4-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H3F6NS/c10-8(11,12)5-1-2-6(9(13,14)15)7(3-5)16-4-17/h1-3H
InChI Key:
LIDXGQJPAJBFKJ-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(ccc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.989g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.18g/mol
Monoisotopic Mass:
270.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
© 2019 Angene International Limited. All rights Reserved.