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70682-33-6 | 6-(azidomethyl)benzo[pqr]tetraphene
CAS No: 70682-33-6 Catalog No: AG005GUN MDL No:
Product Description
Catalog Number:
AG005GUN
Chemical Name:
6-(azidomethyl)benzo[pqr]tetraphene
CAS Number:
70682-33-6
Molecular Formula:
C21H13N3
Molecular Weight:
307.3480
IUPAC Name:
6-(azidomethyl)benzo[a]pyrene
InChI:
InChI=1S/C21H13N3/c22-24-23-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-11H,12H2
InChI Key:
IGFMQKXYUJJNIT-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.356g/mol
Monoisotopic Mass:
307.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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