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1261964-19-5

1261964-19-5 | [1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3-chloro-3'-fluoro-

CAS No: 1261964-19-5 Catalog No: AG000S9F MDL No:MFCD18321510

Product Description

Catalog Number:
AG000S9F
Chemical Name:
[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3-chloro-3'-fluoro-
CAS Number:
1261964-19-5
Molecular Formula:
C14H8ClFO4
Molecular Weight:
294.6623
MDL Number:
MFCD18321510
IUPAC Name:
4-(4-carboxy-3-chlorophenyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C14H8ClFO4/c15-11-5-7(1-3-9(11)13(17)18)8-2-4-10(14(19)20)12(16)6-8/h1-6H,(H,17,18)(H,19,20)
InChI Key:
MFEASKHAYHUMIN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1F)c1ccc(c(c1)Cl)C(=O)O

Properties

Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.01g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
294.662g/mol
Monoisotopic Mass:
294.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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