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1159977-35-1 | 3-Pyridinecarboxylic acid, 2-chloro-5,6-dimethyl-, ethyl ester
CAS No: 1159977-35-1 Catalog No: AG000HEN MDL No:
Product Description
Catalog Number:
AG000HEN
Chemical Name:
3-Pyridinecarboxylic acid, 2-chloro-5,6-dimethyl-, ethyl ester
CAS Number:
1159977-35-1
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
IUPAC Name:
ethyl 2-chloro-5,6-dimethylpyridine-3-carboxylate
InChI:
InChI=1S/C10H12ClNO2/c1-4-14-10(13)8-5-6(2)7(3)12-9(8)11/h5H,4H2,1-3H3
InChI Key:
BPYMGOJIXZADHP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)c(nc1Cl)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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