200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 100045-97-4
100045-97-4 | Benzenecarbothioic acid, 4-fluoro-, S-(4-fluorophenyl) ester
CAS No: 100045-97-4 Catalog No: AG0000NR MDL No:
Product Description
Catalog Number:
AG0000NR
Chemical Name:
Benzenecarbothioic acid, 4-fluoro-, S-(4-fluorophenyl) ester
CAS Number:
100045-97-4
Molecular Formula:
C13H8F2OS
Molecular Weight:
250.2638
IUPAC Name:
S-(4-fluorophenyl) 4-fluorobenzenecarbothioate
InChI:
InChI=1S/C13H8F2OS/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H
InChI Key:
JWUABFVACJDPDM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)SC(=O)c1ccc(cc1)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.263g/mol
Monoisotopic Mass:
250.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.