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197376-47-9 | 3-Pyridineacetic acid, 6-chloro-, ethyl ester
CAS No: 197376-47-9 Catalog No: AG002ASA MDL No:MFCD03092921
Product Description
Catalog Number:
AG002ASA
Chemical Name:
3-Pyridineacetic acid, 6-chloro-, ethyl ester
CAS Number:
197376-47-9
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD03092921
IUPAC Name:
ethyl 2-(6-chloropyridin-3-yl)acetate
InChI:
InChI=1S/C9H10ClNO2/c1-2-13-9(12)5-7-3-4-8(10)11-6-7/h3-4,6H,2,5H2,1H3
InChI Key:
HNMKCAOYIPYXRD-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(nc1)Cl
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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