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3-Fluoro-4-N-octyloxybenzoic acid

Catalog Number
ACM326783
CAS Number
326-78-3
Product Name
3-Fluoro-4-N-octyloxybenzoic acid
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
IUPAC Name
3-fluoro-4-octoxybenzoic acid
Molecular Weight
268.32g/mol
Molecular Formula
C15H21FO3
Canonical SMILES
CCCCCCCCOC1=C(C=C(C=C1)C(=O)O)F
InChI
InChI=1S/C15H21FO3/c1-2-3-4-5-6-7-10-19-14-9-8-12(15(17)18)11-13(14)16/h8-9,11H,2-7,10H2,1H3,(H,17,18)
InChI Key
SQVFTDZEUGEJTQ-UHFFFAOYSA-N
Complexity
258
Covalently-Bonded Unit Count
1
Exact Mass
268.147473g/mol
Formal Charge
0
Heavy Atom Count
19
Monoisotopic Mass
268.147473g/mol
Rotatable Bond Count
9
XLogP3
4.9
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