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23569-77-9 | 1,2,4-Triazine, 3-(4-chlorophenyl)-1,2,5,6-tetrahydro-1,6-dimethyl-5-phenyl-
CAS No: 23569-77-9 Catalog No: AG002NOK MDL No:
Product Description
Catalog Number:
AG002NOK
Chemical Name:
1,2,4-Triazine, 3-(4-chlorophenyl)-1,2,5,6-tetrahydro-1,6-dimethyl-5-phenyl-
CAS Number:
23569-77-9
Molecular Formula:
C17H18ClN3
Molecular Weight:
299.7979
IUPAC Name:
3-(4-chlorophenyl)-1,6-dimethyl-5-phenyl-5,6-dihydro-2H-1,2,4-triazine
InChI:
InChI=1S/C17H18ClN3/c1-12-16(13-6-4-3-5-7-13)19-17(20-21(12)2)14-8-10-15(18)11-9-14/h3-12,16H,1-2H3,(H,19,20)
InChI Key:
RJTWYMNCIBSECT-UHFFFAOYSA-N
SMILES:
CN1NC(=NC(C1C)c1ccccc1)c1ccc(cc1)Cl
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.802g/mol
Monoisotopic Mass:
299.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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