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1261892-14-1 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-fluoro-3'-methoxy-
CAS No: 1261892-14-1 Catalog No: AG000S2X MDL No:MFCD18320679
Product Description
Catalog Number:
AG000S2X
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-fluoro-3'-methoxy-
CAS Number:
1261892-14-1
Molecular Formula:
C14H10ClFO3
Molecular Weight:
280.6788
MDL Number:
MFCD18320679
IUPAC Name:
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H10ClFO3/c1-19-13-7-9(3-5-12(13)16)8-2-4-10(14(17)18)11(15)6-8/h2-7H,1H3,(H,17,18)
InChI Key:
UFGMYLDVJQPRMM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1F)c1ccc(c(c1)Cl)C(=O)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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