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30362-19-7 | 1,3,5-Triazine-2-carboxylic acid, 4-amino-6-(trichloromethyl)-, ethyl ester
CAS No: 30362-19-7 Catalog No: AG002ZUZ MDL No:
Product Description
Catalog Number:
AG002ZUZ
Chemical Name:
1,3,5-Triazine-2-carboxylic acid, 4-amino-6-(trichloromethyl)-, ethyl ester
CAS Number:
30362-19-7
Molecular Formula:
C7H7Cl3N4O2
Molecular Weight:
285.5151
IUPAC Name:
ethyl 4-amino-6-(trichloromethyl)-1,3,5-triazine-2-carboxylate
InChI:
InChI=1S/C7H7Cl3N4O2/c1-2-16-4(15)3-12-5(7(8,9)10)14-6(11)13-3/h2H2,1H3,(H2,11,12,13,14)
InChI Key:
OBRMNGGSPAAIAC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(N)nc(n1)C(Cl)(Cl)Cl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.963g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.509g/mol
Monoisotopic Mass:
283.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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