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54881-18-4 | 2-chloro-6-ethylpyridine-4-carboxylic acid
CAS No: 54881-18-4 Catalog No: AG01A6G7 MDL No:MFCD13816616
Product Description
Catalog Number:
AG01A6G7
Chemical Name:
2-chloro-6-ethylpyridine-4-carboxylic acid
CAS Number:
54881-18-4
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD13816616
IUPAC Name:
2-chloro-6-ethylpyridine-4-carboxylic acid
InChI:
InChI=1S/C8H8ClNO2/c1-2-6-3-5(8(11)12)4-7(9)10-6/h3-4H,2H2,1H3,(H,11,12)
InChI Key:
SKKSZJCZAOYCDY-UHFFFAOYSA-N
SMILES:
CCc1nc(Cl)cc(c1)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:
2.2
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