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102036-44-2 | 9H-Carbazole, 9,9'-(2,4-hexadiyne-1,6-diyl)bis[3,6-dibromo-
CAS No: 102036-44-2 Catalog No: AG0006FM MDL No:
Product Description
Catalog Number:
AG0006FM
Chemical Name:
9H-Carbazole, 9,9'-(2,4-hexadiyne-1,6-diyl)bis[3,6-dibromo-
CAS Number:
102036-44-2
Molecular Formula:
C30H16Br4N2
Molecular Weight:
724.0774
IUPAC Name:
3,6-dibromo-9-[6-(3,6-dibromocarbazol-9-yl)hexa-2,4-diynyl]carbazole
InChI:
InChI=1S/C30H16Br4N2/c31-19-5-9-27-23(15-19)24-16-20(32)6-10-28(24)35(27)13-3-1-2-4-14-36-29-11-7-21(33)17-25(29)26-18-22(34)8-12-30(26)36/h5-12,15-18H,13-14H2
InChI Key:
IKFYJRMKSKIJLE-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c1cc(Br)ccc1n2CC#CC#CCn1c2ccc(cc2c2c1ccc(c2)Br)Br
Properties
Complexity:
816
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
723.801g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
724.088g/mol
Monoisotopic Mass:
719.805g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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