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138538-41-7 | 2-Pyridinecarboxylic acid, 6-chloro-5-ethyl-
CAS No: 138538-41-7 Catalog No: AG0019EQ MDL No:
Product Description
Catalog Number:
AG0019EQ
Chemical Name:
2-Pyridinecarboxylic acid, 6-chloro-5-ethyl-
CAS Number:
138538-41-7
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
IUPAC Name:
6-chloro-5-ethylpyridine-2-carboxylic acid
InChI:
InChI=1S/C8H8ClNO2/c1-2-5-3-4-6(8(11)12)10-7(5)9/h3-4H,2H2,1H3,(H,11,12)
InChI Key:
OVQSPSBRKMMIPX-UHFFFAOYSA-N
SMILES:
CCc1ccc(nc1Cl)C(=O)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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