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Home > Fluorides > 1443328-70-8
1443328-70-8 | 4,5-Difluoro-3-n-propoxybenzoic acid
CAS No: 1443328-70-8 Catalog No: AG01FDKV MDL No:
Product Description
Catalog Number:
AG01FDKV
Chemical Name:
4,5-Difluoro-3-n-propoxybenzoic acid
CAS Number:
1443328-70-8
Molecular Formula:
C10H10F2O3
Molecular Weight:
216.1814
IUPAC Name:
3,4-difluoro-5-propoxybenzoic acid
InChI:
InChI=1S/C10H10F2O3/c1-2-3-15-8-5-6(10(13)14)4-7(11)9(8)12/h4-5H,2-3H2,1H3,(H,13,14)
InChI Key:
UZDHWTYWTZESNW-UHFFFAOYSA-N
SMILES:
CCCOc1cc(cc(c1F)F)C(=O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.184g/mol
Monoisotopic Mass:
216.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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