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1261928-24-8 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-chloro-5'-fluoro-5-nitro-
CAS No: 1261928-24-8 Catalog No: AG000S6O MDL No:MFCD18321016
Product Description
Catalog Number:
AG000S6O
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-chloro-5'-fluoro-5-nitro-
CAS Number:
1261928-24-8
Molecular Formula:
C13H7ClFNO4
Molecular Weight:
295.6504
MDL Number:
MFCD18321016
IUPAC Name:
3-(3-chloro-5-fluorophenyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C13H7ClFNO4/c14-10-2-8(3-11(15)6-10)7-1-9(13(17)18)5-12(4-7)16(19)20/h1-6H,(H,17,18)
InChI Key:
HSAOKQBFTYPNDF-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)cc(c1)c1cc(cc(c1)C(=O)O)[N+](=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:
295.005g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.65g/mol
Monoisotopic Mass:
295.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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