200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1227269-26-2
1227269-26-2 | Benzoic acid, 2,5-difluoro-, 2-methylpropyl ester
CAS No: 1227269-26-2 Catalog No: AG000J4Z MDL No:
Product Description
Catalog Number:
AG000J4Z
Chemical Name:
Benzoic acid, 2,5-difluoro-, 2-methylpropyl ester
CAS Number:
1227269-26-2
Molecular Formula:
C11H12F2O2
Molecular Weight:
214.2086
IUPAC Name:
2-methylpropyl 2,5-difluorobenzoate
InChI:
InChI=1S/C11H12F2O2/c1-7(2)6-15-11(14)9-5-8(12)3-4-10(9)13/h3-5,7H,6H2,1-2H3
InChI Key:
JRRNGJIPVLPHJM-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1cc(F)ccc1F)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.212g/mol
Monoisotopic Mass:
214.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.