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114049-41-1 | Pyrene, 4-azido-
CAS No: 114049-41-1 Catalog No: AG000AER MDL No:
Product Description
Catalog Number:
AG000AER
Chemical Name:
Pyrene, 4-azido-
CAS Number:
114049-41-1
Molecular Formula:
C16H9N3
Molecular Weight:
243.2628
IUPAC Name:
4-azidopyrene
InChI:
InChI=1S/C16H9N3/c17-19-18-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
InChI Key:
NTOVYDOITUHQSO-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc2cccc3c2c2c1cccc2cc3
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.269g/mol
Monoisotopic Mass:
243.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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