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1166831-45-3 | 2-Pyrazinecarboxylic acid, 6-chloro-3-methyl-, methyl ester
CAS No: 1166831-45-3 Catalog No: AG000CZH MDL No:MFCD26127384
Product Description
Catalog Number:
AG000CZH
Chemical Name:
2-Pyrazinecarboxylic acid, 6-chloro-3-methyl-, methyl ester
CAS Number:
1166831-45-3
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
MDL Number:
MFCD26127384
IUPAC Name:
methyl 6-chloro-3-methylpyrazine-2-carboxylate
InChI:
InChI=1S/C7H7ClN2O2/c1-4-6(7(11)12-2)10-5(8)3-9-4/h3H,1-2H3
InChI Key:
SFIUVTLMZTWARM-UHFFFAOYSA-N
SMILES:
Cc1ncc(nc1C(=O)OC)Cl
Properties
Complexity:
177
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:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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