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1443324-91-1 | 4-Fluoro-2-iso-pentoxybenzoic acid
CAS No: 1443324-91-1 Catalog No: AG01FE7M MDL No:
Product Description
Catalog Number:
AG01FE7M
Chemical Name:
4-Fluoro-2-iso-pentoxybenzoic acid
CAS Number:
1443324-91-1
Molecular Formula:
C12H15FO3
Molecular Weight:
226.2441
IUPAC Name:
4-fluoro-2-(3-methylbutoxy)benzoic acid
InChI:
InChI=1S/C12H15FO3/c1-8(2)5-6-16-11-7-9(13)3-4-10(11)12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChI Key:
CQKYJDZBXGBHBH-UHFFFAOYSA-N
SMILES:
CC(CCOc1cc(F)ccc1C(=O)O)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.247g/mol
Monoisotopic Mass:
226.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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