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125792-04-3 | Benzene, 1-azido-3-[(4-azidophenyl)sulfonyl]-
CAS No: 125792-04-3 Catalog No: AG000OR1 MDL No:
Product Description
Catalog Number:
AG000OR1
Chemical Name:
Benzene, 1-azido-3-[(4-azidophenyl)sulfonyl]-
CAS Number:
125792-04-3
Molecular Formula:
C12H8N6O2S
Molecular Weight:
300.2959
IUPAC Name:
1-azido-3-(4-azidophenyl)sulfonylbenzene
InChI:
InChI=1S/C12H8N6O2S/c13-17-15-9-4-6-11(7-5-9)21(19,20)12-3-1-2-10(8-12)16-18-14/h1-8H
InChI Key:
SAHPFDXYNBAFCE-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)S(=O)(=O)c1cccc(c1)N=[N+]=[N-]
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.043g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.296g/mol
Monoisotopic Mass:
300.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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