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1458-18-0 | 2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester
CAS No: 1458-18-0 Catalog No: AG001DFH MDL No:MFCD00010431
Product Description
Catalog Number:
AG001DFH
Chemical Name:
2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester
CAS Number:
1458-18-0
Molecular Formula:
C6H5Cl2N3O2
Molecular Weight:
222.0288
MDL Number:
MFCD00010431
IUPAC Name:
methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
InChI:
InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)
InChI Key:
USYMCUGEGUFUBI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)c(nc1N)Cl
EC Number:
215-947-7
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.025g/mol
Monoisotopic Mass:
220.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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