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Home > Fluorides > 122265-97-8
122265-97-8 | Benzoic acid, 2,3-difluoro-4-(nonyloxy)-
CAS No: 122265-97-8 Catalog No: AG00170J MDL No:
Product Description
Catalog Number:
AG00170J
Chemical Name:
Benzoic acid, 2,3-difluoro-4-(nonyloxy)-
CAS Number:
122265-97-8
Molecular Formula:
C16H22F2O3
Molecular Weight:
300.3409
IUPAC Name:
2,3-difluoro-4-nonoxybenzoic acid
InChI:
InChI=1S/C16H22F2O3/c1-2-3-4-5-6-7-8-11-21-13-10-9-12(16(19)20)14(17)15(13)18/h9-10H,2-8,11H2,1H3,(H,19,20)
InChI Key:
ADVWYVKBEUPGCR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1ccc(c(c1F)F)C(=O)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.154g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.346g/mol
Monoisotopic Mass:
300.154g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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