200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1000577-70-7
1000577-70-7 | 1-Bromo-3-chloro-2-isothiocyanato-5-(trifluoromethyl)benzene
CAS No: 1000577-70-7 Catalog No: AG01EQJS MDL No:MFCD09878110
Product Description
Catalog Number:
AG01EQJS
Chemical Name:
1-Bromo-3-chloro-2-isothiocyanato-5-(trifluoromethyl)benzene
CAS Number:
1000577-70-7
Molecular Formula:
C8H2BrClF3NS
Molecular Weight:
316.5254
MDL Number:
MFCD09878110
IUPAC Name:
1-bromo-3-chloro-2-isothiocyanato-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H2BrClF3NS/c9-5-1-4(8(11,12)13)2-6(10)7(5)14-3-15/h1-2H
InChI Key:
QELJPSVIUGXLOF-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Cl)cc(cc1Br)C(F)(F)F
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.873g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.52g/mol
Monoisotopic Mass:
314.873g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.