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123615-80-5 | Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester, mixt. with O,O-diethyl ethyl[2-[(1-methylethyl)phenylamino]-2-oxoethyl]phosphoramidothioate and N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide] (9CI)
CAS No: 123615-80-5 Catalog No: AG000KVP MDL No:
Product Description
Catalog Number:
AG000KVP
Chemical Name:
Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester, mixt. with O,O-diethyl ethyl[2-[(1-methylethyl)phenylamino]-2-oxoethyl]phosphoramidothioate and N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide] (9CI)
CAS Number:
123615-80-5
IUPAC Name:
2-[diethoxyphosphinothioyl(ethyl)amino]-N-phenyl-N-propan-2-ylacetamide;methyl N-(1H-benzimidazol-2-yl)carbamate;N-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide
InChI:
InChI=1S/C17H29N2O3PS.C10H14Cl6N4O2.C9H9N3O2/c1-6-18(23(24,21-7-2)22-8-3)14-17(20)19(15(4)5)16-12-10-9-11-13-16;11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16;1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h9-13,15H,6-8,14H2,1-5H3;5-8H,1-4H2,(H,17,21)(H,18,22);2-5H,1H3,(H2,10,11,12,13)
InChI Key:
GLRQKGITRVEZEM-UHFFFAOYSA-N
Properties
Complexity:
985
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
997.155g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
998.602g/mol
Monoisotopic Mass:
995.158g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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