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123843-53-8 | Benzoic acid, 2-fluoro-4-pentyl-
CAS No: 123843-53-8 Catalog No: AG000L5X MDL No:
Product Description
Catalog Number:
AG000L5X
Chemical Name:
Benzoic acid, 2-fluoro-4-pentyl-
CAS Number:
123843-53-8
Molecular Formula:
C12H15FO2
Molecular Weight:
210.2447
IUPAC Name:
2-fluoro-4-pentylbenzoic acid
InChI:
InChI=1S/C12H15FO2/c1-2-3-4-5-9-6-7-10(12(14)15)11(13)8-9/h6-8H,2-5H2,1H3,(H,14,15)
InChI Key:
MBKLYSRTBPOBGZ-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(c(c1)F)C(=O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.248g/mol
Monoisotopic Mass:
210.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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