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13958-93-5 | 4-Pyridinecarboxylic acid, 3,5-dichloro-
CAS No: 13958-93-5 Catalog No: AG001BAY MDL No:MFCD01861975
Product Description
Catalog Number:
AG001BAY
Chemical Name:
4-Pyridinecarboxylic acid, 3,5-dichloro-
CAS Number:
13958-93-5
Molecular Formula:
C6H3Cl2NO2
Molecular Weight:
191.9995
MDL Number:
MFCD01861975
IUPAC Name:
3,5-dichloropyridine-4-carboxylic acid
InChI:
InChI=1S/C6H3Cl2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
InChI Key:
BUQPTOSHKHYHHB-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)cncc1Cl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.995g/mol
Monoisotopic Mass:
190.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| 8-Azatetracyclines: synthesis and evaluation of a novel class of tetracycline antibacterial agents. | Journal of medicinal chemistry 20110310 |
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