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3584-23-4 | 2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS No: 3584-23-4 Catalog No: AG003EWU MDL No:MFCD00521486
Product Description
Catalog Number:
AG003EWU
Chemical Name:
2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS Number:
3584-23-4
Molecular Formula:
C12H7Cl6N3O
Molecular Weight:
421.9215
MDL Number:
MFCD00521486
IUPAC Name:
2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
InChI:
InChI=1S/C12H7Cl6N3O/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3
InChI Key:
QRHHZFRCJDAUNA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
EC Number:
222-711-7
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.869g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.908g/mol
Monoisotopic Mass:
418.872g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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