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161069-07-4 | 1,4-Benzenedicarboxamide, N,N'-bis(tribromophenyl)- (9CI)
CAS No: 161069-07-4 Catalog No: AG001VMI MDL No:
Product Description
Catalog Number:
AG001VMI
Chemical Name:
1,4-Benzenedicarboxamide, N,N'-bis(tribromophenyl)- (9CI)
CAS Number:
161069-07-4
Molecular Formula:
C20H10Br6N2O2
Molecular Weight:
789.7296
IUPAC Name:
1-N,4-N-bis(2,3,4-tribromophenyl)benzene-1,4-dicarboxamide
InChI:
InChI=1S/C20H10Br6N2O2/c21-11-5-7-13(17(25)15(11)23)27-19(29)9-1-2-10(4-3-9)20(30)28-14-8-6-12(22)16(24)18(14)26/h1-8H,(H,27,29)(H,28,30)
InChI Key:
PKVGOTFMMFXFKW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)Nc1ccc(c(c1Br)Br)Br)Nc1ccc(c(c1Br)Br)Br
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
789.578g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
789.736g/mol
Monoisotopic Mass:
783.584g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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