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1261913-97-6 | [1,1'-Biphenyl]-4-carboxylic acid, 3',5'-dichloro-3-fluoro-
CAS No: 1261913-97-6 Catalog No: AG000S4Y MDL No:MFCD18321916
Product Description
Catalog Number:
AG000S4Y
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3',5'-dichloro-3-fluoro-
CAS Number:
1261913-97-6
Molecular Formula:
C13H7Cl2FO2
Molecular Weight:
285.0979
MDL Number:
MFCD18321916
IUPAC Name:
4-(3,5-dichlorophenyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C13H7Cl2FO2/c14-9-3-8(4-10(15)6-9)7-1-2-11(13(17)18)12(16)5-7/h1-6H,(H,17,18)
InChI Key:
CIUZWPYCVSZJKR-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1)c1ccc(c(c1)F)C(=O)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.981g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.095g/mol
Monoisotopic Mass:
283.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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