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Home > Fluorides > 1342624-55-8
1342624-55-8 | 3,5-Difluoro-4-n-propoxybenzoic acid
CAS No: 1342624-55-8 Catalog No: AG01FDI6 MDL No:
Product Description
Catalog Number:
AG01FDI6
Chemical Name:
3,5-Difluoro-4-n-propoxybenzoic acid
CAS Number:
1342624-55-8
Molecular Formula:
C10H10F2O3
Molecular Weight:
216.1814
IUPAC Name:
3,5-difluoro-4-propoxybenzoic acid
InChI:
InChI=1S/C10H10F2O3/c1-2-3-15-9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14)
InChI Key:
UOCSCYZYAQPWNB-UHFFFAOYSA-N
SMILES:
CCCOc1c(F)cc(cc1F)C(=O)O
Properties
Complexity:
211
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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