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832087-85-1 | Benzoic acid, 4-(3-carboxypropoxy)-3-fluoro-
CAS No: 832087-85-1 Catalog No: AG004VDG MDL No:
Product Description
Catalog Number:
AG004VDG
Chemical Name:
Benzoic acid, 4-(3-carboxypropoxy)-3-fluoro-
CAS Number:
832087-85-1
Molecular Formula:
C11H11FO5
Molecular Weight:
242.2004
IUPAC Name:
4-(3-carboxypropoxy)-3-fluorobenzoic acid
InChI:
InChI=1S/C11H11FO5/c12-8-6-7(11(15)16)3-4-9(8)17-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)(H,15,16)
InChI Key:
DTJKZYQYLQKNHI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCOc1ccc(cc1F)C(=O)O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.202g/mol
Monoisotopic Mass:
242.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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