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141872-16-4 | 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-methyl-, ethyl ester
CAS No: 141872-16-4 Catalog No: AG001H9V MDL No:MFCD08704421
Product Description
Catalog Number:
AG001H9V
Chemical Name:
1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-methyl-, ethyl ester
CAS Number:
141872-16-4
Molecular Formula:
C7H8ClN3O2
Molecular Weight:
201.6103
MDL Number:
MFCD08704421
IUPAC Name:
ethyl 5-chloro-3-methyl-1,2,4-triazine-6-carboxylate
InChI:
InChI=1S/C7H8ClN3O2/c1-3-13-7(12)5-6(8)9-4(2)10-11-5/h3H2,1-2H3
InChI Key:
NWRXASFMSMTEHT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc(nc1Cl)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.61g/mol
Monoisotopic Mass:
201.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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