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1261999-46-5 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-fluoro-4'-hydroxy-, methyl ester
CAS No: 1261999-46-5 Catalog No: AG000SCB MDL No:MFCD18314045
Product Description
Catalog Number:
AG000SCB
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-fluoro-4'-hydroxy-, methyl ester
CAS Number:
1261999-46-5
Molecular Formula:
C14H10ClFO3
Molecular Weight:
280.6788
MDL Number:
MFCD18314045
IUPAC Name:
methyl 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzoate
InChI:
InChI=1S/C14H10ClFO3/c1-19-14(18)10-4-2-8(6-11(10)15)9-3-5-13(17)12(16)7-9/h2-7,17H,1H3
InChI Key:
GYJKDFMONVCQLQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Cl)c1ccc(c(c1)F)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.679g/mol
Monoisotopic Mass:
280.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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