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1261922-66-0 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-chloro-5'-fluoro-5-methoxy-
CAS No: 1261922-66-0 Catalog No: AG000S5R MDL No:MFCD18321007
Product Description
Catalog Number:
AG000S5R
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-chloro-5'-fluoro-5-methoxy-
CAS Number:
1261922-66-0
Molecular Formula:
C14H10ClFO3
Molecular Weight:
280.6788
MDL Number:
MFCD18321007
IUPAC Name:
3-(3-chloro-5-fluorophenyl)-5-methoxybenzoic acid
InChI:
InChI=1S/C14H10ClFO3/c1-19-13-5-8(2-10(6-13)14(17)18)9-3-11(15)7-12(16)4-9/h2-7H,1H3,(H,17,18)
InChI Key:
IFJAJJNWVWMRAO-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(=O)O)c1cc(F)cc(c1)Cl
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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