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Home > Fluorides > 122265-96-7
122265-96-7 | Benzoic acid, 2,3-difluoro-4-(octyloxy)-
CAS No: 122265-96-7 Catalog No: AG00170K MDL No:
Product Description
Catalog Number:
AG00170K
Chemical Name:
Benzoic acid, 2,3-difluoro-4-(octyloxy)-
CAS Number:
122265-96-7
Molecular Formula:
C15H20F2O3
Molecular Weight:
286.3143
IUPAC Name:
2,3-difluoro-4-octoxybenzoic acid
InChI:
InChI=1S/C15H20F2O3/c1-2-3-4-5-6-7-10-20-12-9-8-11(15(18)19)13(16)14(12)17/h8-9H,2-7,10H2,1H3,(H,18,19)
InChI Key:
LKLUKBVDNAEEKI-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(c(c1F)F)C(=O)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.319g/mol
Monoisotopic Mass:
286.138g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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