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1261919-29-2 | [1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-3'-formyl-2'-hydroxy-, methyl ester
CAS No: 1261919-29-2 Catalog No: AG000S5Y MDL No:MFCD18314838
Product Description
Catalog Number:
AG000S5Y
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-3'-formyl-2'-hydroxy-, methyl ester
CAS Number:
1261919-29-2
Molecular Formula:
C15H11FO4
Molecular Weight:
274.2438
MDL Number:
MFCD18314838
IUPAC Name:
methyl 4-fluoro-3-(3-formyl-2-hydroxyphenyl)benzoate
InChI:
InChI=1S/C15H11FO4/c1-20-15(19)9-5-6-13(16)12(7-9)11-4-2-3-10(8-17)14(11)18/h2-8,18H,1H3
InChI Key:
NEKWWIBUUQWZHM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)c1cccc(c1O)C=O)F
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.247g/mol
Monoisotopic Mass:
274.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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