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Home > Fluorides > 1443328-59-3
1443328-59-3 | 3-n-Butoxy-4,5-difluorobenzoic acid
CAS No: 1443328-59-3 Catalog No: AG01FDXX MDL No:
Product Description
Catalog Number:
AG01FDXX
Chemical Name:
3-n-Butoxy-4,5-difluorobenzoic acid
CAS Number:
1443328-59-3
Molecular Formula:
C11H12F2O3
Molecular Weight:
230.2080
IUPAC Name:
3-butoxy-4,5-difluorobenzoic acid
InChI:
InChI=1S/C11H12F2O3/c1-2-3-4-16-9-6-7(11(14)15)5-8(12)10(9)13/h5-6H,2-4H2,1H3,(H,14,15)
InChI Key:
YJNMTIYLMPHUED-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(cc(c1F)F)C(=O)O
Properties
Complexity:
235
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:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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