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1443312-04-6 | 2-n-Butoxy-3,5-difluorobenzoic acid
CAS No: 1443312-04-6 Catalog No: AG01FDX9 MDL No:
Product Description
Catalog Number:
AG01FDX9
Chemical Name:
2-n-Butoxy-3,5-difluorobenzoic acid
CAS Number:
1443312-04-6
Molecular Formula:
C11H12F2O3
Molecular Weight:
230.2080
IUPAC Name:
2-butoxy-3,5-difluorobenzoic acid
InChI:
InChI=1S/C11H12F2O3/c1-2-3-4-16-10-8(11(14)15)5-7(12)6-9(10)13/h5-6H,2-4H2,1H3,(H,14,15)
InChI Key:
IHUMGNAHGXSHKI-UHFFFAOYSA-N
SMILES:
CCCCOc1c(F)cc(cc1C(=O)O)F
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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