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87428-58-8 | 1,2,4-Triazin-3(2H)-one, 6-(3-chlorophenyl)-4,5-dihydro-4-methyl-
CAS No: 87428-58-8 Catalog No: AG004G4Q MDL No:
Product Description
Catalog Number:
AG004G4Q
Chemical Name:
1,2,4-Triazin-3(2H)-one, 6-(3-chlorophenyl)-4,5-dihydro-4-methyl-
CAS Number:
87428-58-8
Molecular Formula:
C10H10ClN3O
Molecular Weight:
223.6589
IUPAC Name:
6-(3-chlorophenyl)-4-methyl-2,5-dihydro-1,2,4-triazin-3-one
InChI:
InChI=1S/C10H10ClN3O/c1-14-6-9(12-13-10(14)15)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H,13,15)
InChI Key:
YSROFLABWDIJNI-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C1=NNC(=O)N(C1)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.66g/mol
Monoisotopic Mass:
223.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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