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102310-99-6 | 1,3,5-Triazine, 1,3,5-tris(4-bromophenyl)hexahydro-
CAS No: 102310-99-6 Catalog No: AG000773 MDL No:
Product Description
Catalog Number:
AG000773
Chemical Name:
1,3,5-Triazine, 1,3,5-tris(4-bromophenyl)hexahydro-
CAS Number:
102310-99-6
Molecular Formula:
C21H18Br3N3
Molecular Weight:
552.0997
IUPAC Name:
1,3,5-tris(4-bromophenyl)-1,3,5-triazinane
InChI:
InChI=1S/C21H18Br3N3/c22-16-1-7-19(8-2-16)25-13-26(20-9-3-17(23)4-10-20)15-27(14-25)21-11-5-18(24)6-12-21/h1-12H,13-15H2
InChI Key:
QJPPRGNVDBCCMU-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N1CN(CN(C1)c1ccc(cc1)Br)c1ccc(cc1)Br
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.903g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
552.108g/mol
Monoisotopic Mass:
548.905g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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