200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1000574-53-7
1000574-53-7 | 4-Bromo-2,3-difluorophenyl isothiocyanate
CAS No: 1000574-53-7 Catalog No: AG01FBFR MDL No:MFCD09878202
Product Description
Catalog Number:
AG01FBFR
Chemical Name:
4-Bromo-2,3-difluorophenyl isothiocyanate
CAS Number:
1000574-53-7
Molecular Formula:
C7H2BrF2NS
Molecular Weight:
250.0633
MDL Number:
MFCD09878202
IUPAC Name:
1-bromo-2,3-difluoro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H2BrF2NS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
InChI Key:
NVMLTPSSTQHADF-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1F)F)Br
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.906g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.061g/mol
Monoisotopic Mass:
248.906g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.