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Home > Fluorides > 1443304-79-7
1443304-79-7 | 3,5-Difluoro-2-iso-pentoxybenzoic acid
CAS No: 1443304-79-7 Catalog No: AG01FCQ6 MDL No:
Product Description
Catalog Number:
AG01FCQ6
Chemical Name:
3,5-Difluoro-2-iso-pentoxybenzoic acid
CAS Number:
1443304-79-7
Molecular Formula:
C12H14F2O3
Molecular Weight:
244.2346
IUPAC Name:
3,5-difluoro-2-(3-methylbutoxy)benzoic acid
InChI:
InChI=1S/C12H14F2O3/c1-7(2)3-4-17-11-9(12(15)16)5-8(13)6-10(11)14/h5-7H,3-4H2,1-2H3,(H,15,16)
InChI Key:
OKBSXKUGWRUHFH-UHFFFAOYSA-N
SMILES:
CC(CCOc1c(F)cc(cc1C(=O)O)F)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.238g/mol
Monoisotopic Mass:
244.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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