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Home > Fluorides > 1343670-92-7
1343670-92-7 | 4-iso-Butoxy-3,5-difluorobenzoic acid
CAS No: 1343670-92-7 Catalog No: AG01FD16 MDL No:
Product Description
Catalog Number:
AG01FD16
Chemical Name:
4-iso-Butoxy-3,5-difluorobenzoic acid
CAS Number:
1343670-92-7
Molecular Formula:
C11H12F2O3
Molecular Weight:
230.2080
IUPAC Name:
3,5-difluoro-4-(2-methylpropoxy)benzoic acid
InChI:
InChI=1S/C11H12F2O3/c1-6(2)5-16-10-8(12)3-7(11(14)15)4-9(10)13/h3-4,6H,5H2,1-2H3,(H,14,15)
InChI Key:
OPKSAEDCUJGIBY-UHFFFAOYSA-N
SMILES:
CC(COc1c(F)cc(cc1F)C(=O)O)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.211g/mol
Monoisotopic Mass:
230.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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