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Home > Fluorides > 852180-94-0
852180-94-0 | 3-(1,3-Dioxolan-2-yl);-4-fluorobenzoic acid
CAS No: 852180-94-0 Catalog No: AG004VYE MDL No:MFCD14706172
Product Description
Catalog Number:
AG004VYE
Chemical Name:
3-(1,3-Dioxolan-2-yl);-4-fluorobenzoic acid
CAS Number:
852180-94-0
Molecular Formula:
C10H9FO4
Molecular Weight:
212.1745
MDL Number:
MFCD14706172
IUPAC Name:
3-(1,3-dioxolan-2-yl)-4-fluorobenzoic acid
InChI:
InChI=1S/C10H9FO4/c11-8-2-1-6(9(12)13)5-7(8)10-14-3-4-15-10/h1-2,5,10H,3-4H2,(H,12,13)
InChI Key:
SQWXGBLQGBIVJD-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1C1OCCO1)C(=O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.176g/mol
Monoisotopic Mass:
212.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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