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161611-46-7 | 2-Pyrazinecarboxylic acid, 6-chloro-, ethyl ester
CAS No: 161611-46-7 Catalog No: AG001VQG MDL No:MFCD16036493
Product Description
Catalog Number:
AG001VQG
Chemical Name:
2-Pyrazinecarboxylic acid, 6-chloro-, ethyl ester
CAS Number:
161611-46-7
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
MDL Number:
MFCD16036493
IUPAC Name:
ethyl 6-chloropyrazine-2-carboxylate
InChI:
InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-9-4-6(8)10-5/h3-4H,2H2,1H3
InChI Key:
BBIOIIDDANTAIE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cncc(n1)Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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