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88779-85-5 | Propanenitrile, 3-[ethyl[4-[(2,4,6-trichlorophenyl)azo]phenyl]amino]-
CAS No: 88779-85-5 Catalog No: AG004CZB MDL No:
Product Description
Catalog Number:
AG004CZB
Chemical Name:
Propanenitrile, 3-[ethyl[4-[(2,4,6-trichlorophenyl)azo]phenyl]amino]-
CAS Number:
88779-85-5
Molecular Formula:
C17H15Cl3N4
Molecular Weight:
381.6868
IUPAC Name:
3-[N-ethyl-4-[(2,4,6-trichlorophenyl)diazenyl]anilino]propanenitrile
InChI:
InChI=1S/C17H15Cl3N4/c1-2-24(9-3-8-21)14-6-4-13(5-7-14)22-23-17-15(19)10-12(18)11-16(17)20/h4-7,10-11H,2-3,9H2,1H3
InChI Key:
CMWJNMNWBFLPCC-UHFFFAOYSA-N
SMILES:
N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)Cl)CC
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.036g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.685g/mol
Monoisotopic Mass:
380.036g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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