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Home > Fluorides > 114045-96-4
114045-96-4 | Benzoic acid, 2-fluoro-4-(phenylmethoxy)-
CAS No: 114045-96-4 Catalog No: AG000ADV MDL No:MFCD12407082
Product Description
Catalog Number:
AG000ADV
Chemical Name:
Benzoic acid, 2-fluoro-4-(phenylmethoxy)-
CAS Number:
114045-96-4
Molecular Formula:
C14H11FO3
Molecular Weight:
246.2337
MDL Number:
MFCD12407082
IUPAC Name:
2-fluoro-4-phenylmethoxybenzoic acid
InChI:
InChI=1S/C14H11FO3/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChI Key:
HWQRXVRKZFDKLJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1F)OCc1ccccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.237g/mol
Monoisotopic Mass:
246.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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