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126542-35-6 | 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-(4-chlorophenyl)-, ethyl ester
CAS No: 126542-35-6 Catalog No: AG000SWJ MDL No:
Product Description
Catalog Number:
AG000SWJ
Chemical Name:
1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-(4-chlorophenyl)-, ethyl ester
CAS Number:
126542-35-6
Molecular Formula:
C12H9Cl2N3O2
Molecular Weight:
298.1248
IUPAC Name:
ethyl 5-chloro-3-(4-chlorophenyl)-1,2,4-triazine-6-carboxylate
InChI:
InChI=1S/C12H9Cl2N3O2/c1-2-19-12(18)9-10(14)15-11(17-16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3
InChI Key:
CEVSLBYWSKYKFE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc(nc1Cl)c1ccc(cc1)Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.007g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.123g/mol
Monoisotopic Mass:
297.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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