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1443304-72-0 | 3-iso-Butoxy-4,5-difluorobenzoic acid
CAS No: 1443304-72-0 Catalog No: AG01FD4A MDL No:
Product Description
Catalog Number:
AG01FD4A
Chemical Name:
3-iso-Butoxy-4,5-difluorobenzoic acid
CAS Number:
1443304-72-0
Molecular Formula:
C11H12F2O3
Molecular Weight:
230.2080
IUPAC Name:
3,4-difluoro-5-(2-methylpropoxy)benzoic acid
InChI:
InChI=1S/C11H12F2O3/c1-6(2)5-16-9-4-7(11(14)15)3-8(12)10(9)13/h3-4,6H,5H2,1-2H3,(H,14,15)
InChI Key:
RHYBXBJGDLRTLI-UHFFFAOYSA-N
SMILES:
CC(COc1cc(cc(c1F)F)C(=O)O)C
Properties
Complexity:
245
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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