200,000+ products from a single source!

sales@angenechem.com

Home > Fluorides > 147596-66-5

147596-66-5

147596-66-5 | Benzoic acid, 3-fluoro-4-hydroxy-, (1R)-1-methylheptyl ester

CAS No: 147596-66-5 Catalog No: AG001F0D MDL No:

Product Description

Catalog Number:
AG001F0D
Chemical Name:
Benzoic acid, 3-fluoro-4-hydroxy-, (1R)-1-methylheptyl ester
CAS Number:
147596-66-5
Molecular Formula:
C15H21FO3
Molecular Weight:
268.3238
IUPAC Name:
octan-2-yl 3-fluoro-4-hydroxybenzoate
InChI:
InChI=1S/C15H21FO3/c1-3-4-5-6-7-11(2)19-15(18)12-8-9-14(17)13(16)10-12/h8-11,17H,3-7H2,1-2H3
InChI Key:
VHLJDEDJHXOKTB-UHFFFAOYSA-N
SMILES:
CCCCCC[C@H](OC(=O)c1ccc(c(c1)F)O)C

Properties

Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.147g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.328g/mol
Monoisotopic Mass:
268.147g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

© 2019 Angene International Limited. All rights Reserved.