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Home > Bromides > 1313514-53-2
1313514-53-2 | Triphenylene, 2-(3-bromophenyl)-
CAS No: 1313514-53-2 Catalog No: AG000VZT MDL No:MFCD28384139
Product Description
Catalog Number:
AG000VZT
Chemical Name:
Triphenylene, 2-(3-bromophenyl)-
CAS Number:
1313514-53-2
Molecular Formula:
C24H15Br
Molecular Weight:
383.2799
MDL Number:
MFCD28384139
IUPAC Name:
2-(3-bromophenyl)triphenylene
InChI:
InChI=1S/C24H15Br/c25-18-7-5-6-16(14-18)17-12-13-23-21-10-2-1-8-19(21)20-9-3-4-11-22(20)24(23)15-17/h1-15H
InChI Key:
KWXFBIBEVROWEF-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1ccc2c(c1)c1ccccc1c1c2cccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.036g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.288g/mol
Monoisotopic Mass:
382.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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