200,000+ products from a single source!
sales@angenechem.com
688763-24-8 | 2-Bromo-4-trifluoromethyl-6-nitrophenylisothio cyanate
CAS No: 688763-24-8 Catalog No: AG01EWYZ MDL No:MFCD03840358
Product Description
Catalog Number:
AG01EWYZ
Chemical Name:
2-Bromo-4-trifluoromethyl-6-nitrophenylisothio cyanate
CAS Number:
688763-24-8
Molecular Formula:
C8H2BrF3N2O2S
Molecular Weight:
327.0779
MDL Number:
MFCD03840358
IUPAC Name:
1-bromo-2-isothiocyanato-3-nitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H2BrF3N2O2S/c9-5-1-4(8(10,11)12)2-6(14(15)16)7(5)13-3-17/h1-2H
InChI Key:
NHIODMNJPNMPAM-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.897g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.075g/mol
Monoisotopic Mass:
325.897g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.