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1247810-91-8 | [1,1'-Biphenyl]-2-carboxylic acid, 4-fluoro-, methyl ester
CAS No: 1247810-91-8 Catalog No: AG000MPX MDL No:MFCD20231493
Product Description
Catalog Number:
AG000MPX
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4-fluoro-, methyl ester
CAS Number:
1247810-91-8
Molecular Formula:
C14H11FO2
Molecular Weight:
230.2343
MDL Number:
MFCD20231493
IUPAC Name:
methyl 5-fluoro-2-phenylbenzoate
InChI:
InChI=1S/C14H11FO2/c1-17-14(16)13-9-11(15)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
YACAUOKBAYORPF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)ccc1c1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.238g/mol
Monoisotopic Mass:
230.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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