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120028-36-6 | Ethanone, 1-[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]phenyl]-
CAS No: 120028-36-6 Catalog No: AG000Q3V MDL No:
Product Description
Catalog Number:
AG000Q3V
Chemical Name:
Ethanone, 1-[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]phenyl]-
CAS Number:
120028-36-6
Molecular Formula:
C13H7Cl6N3O
Molecular Weight:
433.9322
IUPAC Name:
1-[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]phenyl]ethanone
InChI:
InChI=1S/C13H7Cl6N3O/c1-6(23)7-2-4-8(5-3-7)9-20-10(12(14,15)16)22-11(21-9)13(17,18)19/h2-5H,1H3
InChI Key:
JNNRBDNSVJZCFQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.869g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
433.919g/mol
Monoisotopic Mass:
430.872g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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