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1276024-30-6 | 2-(3-Chloro-5-fluorobenzoyl)benzoic acid
CAS No: 1276024-30-6 Catalog No: AG01FBXY MDL No:
Product Description
Catalog Number:
AG01FBXY
Chemical Name:
2-(3-Chloro-5-fluorobenzoyl)benzoic acid
CAS Number:
1276024-30-6
Molecular Formula:
C14H8ClFO3
Molecular Weight:
278.6629
IUPAC Name:
2-(3-chloro-5-fluorobenzoyl)benzoic acid
InChI:
InChI=1S/C14H8ClFO3/c15-9-5-8(6-10(16)7-9)13(17)11-3-1-2-4-12(11)14(18)19/h1-7H,(H,18,19)
InChI Key:
KJPJMJOFQBMKFS-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)cc(c1)C(=O)c1ccccc1C(=O)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.015g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.663g/mol
Monoisotopic Mass:
278.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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