200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 951888-83-8
951888-83-8 | 6-(2,4-Difluorophenyl)-6-oxohexanoic acid
CAS No: 951888-83-8 Catalog No: AG01EZSP MDL No:
Product Description
Catalog Number:
AG01EZSP
Chemical Name:
6-(2,4-Difluorophenyl)-6-oxohexanoic acid
CAS Number:
951888-83-8
Molecular Formula:
C12H12F2O3
Molecular Weight:
242.2187
IUPAC Name:
6-(2,4-difluorophenyl)-6-oxohexanoic acid
InChI:
InChI=1S/C12H12F2O3/c13-8-5-6-9(10(14)7-8)11(15)3-1-2-4-12(16)17/h5-7H,1-4H2,(H,16,17)
InChI Key:
FQQOPNXAYXWRBX-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC(=O)c1ccc(cc1F)F
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.222g/mol
Monoisotopic Mass:
242.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
© 2019 Angene International Limited. All rights Reserved.