200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1027513-62-7
1027513-62-7 | 2,4-Difluorobenzylisothiocyanate
CAS No: 1027513-62-7 Catalog No: AG01FEJ7 MDL No:MFCD06740518
Product Description
Catalog Number:
AG01FEJ7
Chemical Name:
2,4-Difluorobenzylisothiocyanate
CAS Number:
1027513-62-7
Molecular Formula:
C8H5F2NS
Molecular Weight:
185.1938
MDL Number:
MFCD06740518
IUPAC Name:
2,4-difluoro-1-(isothiocyanatomethyl)benzene
InChI:
InChI=1S/C8H5F2NS/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3H,4H2
InChI Key:
XQZMDAOAFSOBHF-UHFFFAOYSA-N
SMILES:
S=C=NCc1ccc(cc1F)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.192g/mol
Monoisotopic Mass:
185.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.