200,000+ products from a single source!
sales@angenechem.com
52209-61-7 | 4-Nitro-3-(trifluoromethyl)phenyl isothiocyanate
CAS No: 52209-61-7 Catalog No: AG01EWCE MDL No:MFCD09878102
Product Description
Catalog Number:
AG01EWCE
Chemical Name:
4-Nitro-3-(trifluoromethyl)phenyl isothiocyanate
CAS Number:
52209-61-7
Molecular Formula:
C8H3F3N2O2S
Molecular Weight:
248.1818
MDL Number:
MFCD09878102
IUPAC Name:
4-isothiocyanato-1-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3F3N2O2S/c9-8(10,11)6-3-5(12-4-16)1-2-7(6)13(14)15/h1-3H
InChI Key:
ZOYAODGOWYSYFN-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.987g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.179g/mol
Monoisotopic Mass:
247.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
© 2019 Angene International Limited. All rights Reserved.