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178421-22-2

178421-22-2 | 2-Pyridinecarboxylic acid, 6-chloro-5-methyl-, methyl ester

CAS No: 178421-22-2 Catalog No: AG00260I MDL No:MFCD18255502

Product Description

Catalog Number:
AG00260I
Chemical Name:
2-Pyridinecarboxylic acid, 6-chloro-5-methyl-, methyl ester
CAS Number:
178421-22-2
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD18255502
IUPAC Name:
methyl 6-chloro-5-methylpyridine-2-carboxylate
InChI:
InChI=1S/C8H8ClNO2/c1-5-3-4-6(8(11)12-2)10-7(5)9/h3-4H,1-2H3
InChI Key:
AMIHCSRDGRJMTO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(n1)Cl)C

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:
0
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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