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Home > Fluorides > 1380300-36-6
1380300-36-6 | 4-(Cyclobutylmethoxy)-3,5-difluorobenzoic acid
CAS No: 1380300-36-6 Catalog No: AG01FA37 MDL No:
Product Description
Catalog Number:
AG01FA37
Chemical Name:
4-(Cyclobutylmethoxy)-3,5-difluorobenzoic acid
CAS Number:
1380300-36-6
Molecular Formula:
C12H12F2O3
Molecular Weight:
242.2187
IUPAC Name:
4-(cyclobutylmethoxy)-3,5-difluorobenzoic acid
InChI:
InChI=1S/C12H12F2O3/c13-9-4-8(12(15)16)5-10(14)11(9)17-6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,15,16)
InChI Key:
GMMQSBUSMMWBSS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)F)OCC1CCC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.222g/mol
Monoisotopic Mass:
242.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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