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188688-85-9 | 1,2,4-Triazin-3(2H)-one, 5-[(4-chlorophenyl)amino]-6-methyl-
CAS No: 188688-85-9 Catalog No: AG002H4U MDL No:
Product Description
Catalog Number:
AG002H4U
Chemical Name:
1,2,4-Triazin-3(2H)-one, 5-[(4-chlorophenyl)amino]-6-methyl-
CAS Number:
188688-85-9
Molecular Formula:
C10H9ClN4O
Molecular Weight:
236.6577
IUPAC Name:
5-(4-chloroanilino)-6-methyl-2H-1,2,4-triazin-3-one
InChI:
InChI=1S/C10H9ClN4O/c1-6-9(13-10(16)15-14-6)12-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13,15,16)
InChI Key:
JZYGNOHLTSYWOL-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(=O)nc1Nc1ccc(cc1)Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.659g/mol
Monoisotopic Mass:
236.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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