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887976-70-7 | 6-(3,5-DICHLOROPHENYL)-NICOTINIC ACID
CAS No: 887976-70-7 Catalog No: AG004CT8 MDL No:MFCD06410417
Product Description
Catalog Number:
AG004CT8
Chemical Name:
6-(3,5-DICHLOROPHENYL)-NICOTINIC ACID
CAS Number:
887976-70-7
Molecular Formula:
C12H7Cl2NO2
Molecular Weight:
268.0955
MDL Number:
MFCD06410417
IUPAC Name:
6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H7Cl2NO2/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-15-11)12(16)17/h1-6H,(H,16,17)
InChI Key:
GPUUXDZIZHGFQS-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1)c1ccc(cn1)C(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.985g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.093g/mol
Monoisotopic Mass:
266.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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