200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1152501-92-2
1152501-92-2 | Benzoic acid, 2,6-difluoro-3-(propylsulfonyl)-
CAS No: 1152501-92-2 Catalog No: AG000GI3 MDL No:MFCD11103057
Product Description
Catalog Number:
AG000GI3
Chemical Name:
Benzoic acid, 2,6-difluoro-3-(propylsulfonyl)-
CAS Number:
1152501-92-2
Molecular Formula:
C10H10F2O4S
Molecular Weight:
264.2458
MDL Number:
MFCD11103057
IUPAC Name:
2,6-difluoro-3-propylsulfonylbenzoic acid
InChI:
InChI=1S/C10H10F2O4S/c1-2-5-17(15,16)7-4-3-6(11)8(9(7)12)10(13)14/h3-4H,2,5H2,1H3,(H,13,14)
InChI Key:
PEZDPTPWOADZPM-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)c1ccc(c(c1F)C(=O)O)F
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.027g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.243g/mol
Monoisotopic Mass:
264.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.