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1261904-84-0 | [1,1'-Biphenyl]-4-carboxylic acid, 2'-chloro-2-fluoro-5'-methoxy-
CAS No: 1261904-84-0 Catalog No: AG000S5J MDL No:MFCD18321620
Product Description
Catalog Number:
AG000S5J
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2'-chloro-2-fluoro-5'-methoxy-
CAS Number:
1261904-84-0
Molecular Formula:
C14H10ClFO3
Molecular Weight:
280.6788
MDL Number:
MFCD18321620
IUPAC Name:
4-(2-chloro-5-methoxyphenyl)-3-fluorobenzoic acid
InChI:
InChI=1S/C14H10ClFO3/c1-19-9-3-5-12(15)11(7-9)10-4-2-8(14(17)18)6-13(10)16/h2-7H,1H3,(H,17,18)
InChI Key:
UAJJDRBRMQMSRE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1ccc(cc1F)C(=O)O)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:
4.1
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