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1194374-11-2 | 1(2H)-Pyrazinecarboxylic acid, 3-chloro-2-oxo-, ethyl ester
CAS No: 1194374-11-2 Catalog No: AG000IRL MDL No:MFCD11973832
Product Description
Catalog Number:
AG000IRL
Chemical Name:
1(2H)-Pyrazinecarboxylic acid, 3-chloro-2-oxo-, ethyl ester
CAS Number:
1194374-11-2
Molecular Formula:
C7H7ClN2O3
Molecular Weight:
202.5951
MDL Number:
MFCD11973832
IUPAC Name:
ethyl 2-(3-chloro-2-oxopyrazin-1-yl)acetate
InChI:
InChI=1S/C8H9ClN2O3/c1-2-14-6(12)5-11-4-3-10-7(9)8(11)13/h3-4H,2,5H2,1H3
InChI Key:
XXDGQFANXYGUKC-UHFFFAOYSA-N
SMILES:
CCOC(=O)n1ccnc(c1=O)Cl
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.621g/mol
Monoisotopic Mass:
216.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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