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Home > Fluorides > 1282215-83-1
1282215-83-1 | 3,5-Difluoro-4-iso-pentoxybenzoic acid
CAS No: 1282215-83-1 Catalog No: AG01FCM0 MDL No:
Product Description
Catalog Number:
AG01FCM0
Chemical Name:
3,5-Difluoro-4-iso-pentoxybenzoic acid
CAS Number:
1282215-83-1
Molecular Formula:
C12H14F2O3
Molecular Weight:
244.2346
IUPAC Name:
3,5-difluoro-4-(3-methylbutoxy)benzoic acid
InChI:
InChI=1S/C12H14F2O3/c1-7(2)3-4-17-11-9(13)5-8(12(15)16)6-10(11)14/h5-7H,3-4H2,1-2H3,(H,15,16)
InChI Key:
WWIADXFQYMQFMK-UHFFFAOYSA-N
SMILES:
CC(CCOc1c(F)cc(cc1F)C(=O)O)C
Properties
Complexity:
246
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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