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30356-52-6 | 1,3,5-Triazin-2-amine, N-(3-chlorophenyl)-4,6-bis(trichloromethyl)-
CAS No: 30356-52-6 Catalog No: AG002ZUH MDL No:
Product Description
Catalog Number:
AG002ZUH
Chemical Name:
1,3,5-Triazin-2-amine, N-(3-chlorophenyl)-4,6-bis(trichloromethyl)-
CAS Number:
30356-52-6
Molecular Formula:
C11H5Cl7N4
Molecular Weight:
441.3552
IUPAC Name:
N-(3-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
InChI:
InChI=1S/C11H5Cl7N4/c12-5-2-1-3-6(4-5)19-9-21-7(10(13,14)15)20-8(22-9)11(16,17)18/h1-4H,(H,19,20,21,22)
InChI Key:
JAOMQMOOQRAOTA-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Nc1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.83g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.339g/mol
Monoisotopic Mass:
437.833g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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