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113623-99-7 | Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-, mixt. with 6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine and 1-(dichloroacetyl)hexahydro-3,3,8a-trimethylpyrrolo[1,2-a]pyrimidin-6(2H)-one (9CI)
CAS No: 113623-99-7 Catalog No: AG00095W MDL No:
Product Description
Catalog Number:
AG00095W
Chemical Name:
Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-, mixt. with 6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine and 1-(dichloroacetyl)hexahydro-3,3,8a-trimethylpyrrolo[1,2-a]pyrimidin-6(2H)-one (9CI)
CAS Number:
113623-99-7
IUPAC Name:
2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;1-(2,2-dichloroacetyl)-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
InChI:
InChI=1S/C14H16ClN3O.C12H18Cl2N2O2.C8H14ClN5/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17;1-11(2)6-15-8(17)4-5-12(15,3)16(7-11)10(18)9(13)14;1-4-14(5(2)3)8-12-6(9)11-7(10)13-8/h3-8H,9-10H2,1-2H3;9H,4-7H2,1-3H3;5H,4H2,1-3H3,(H2,10,11,12,13)
InChI Key:
JSQQQSXWNSDFDM-UHFFFAOYSA-N
Properties
Complexity:
878
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
786.264g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
786.625g/mol
Monoisotopic Mass:
784.266g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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