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1261972-19-3 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-fluoro-4'-hydroxy-
CAS No: 1261972-19-3 Catalog No: AG000SA3 MDL No:MFCD18319718
Product Description
Catalog Number:
AG000SA3
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-fluoro-4'-hydroxy-
CAS Number:
1261972-19-3
Molecular Formula:
C13H8ClFO3
Molecular Weight:
266.6522
MDL Number:
MFCD18319718
IUPAC Name:
2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzoic acid
InChI:
InChI=1S/C13H8ClFO3/c14-10-5-7(1-3-9(10)13(17)18)8-2-4-12(16)11(15)6-8/h1-6,16H,(H,17,18)
InChI Key:
ILFLVNGGZILIJW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1ccc(c(c1)F)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.015g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.652g/mol
Monoisotopic Mass:
266.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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