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1816-88-2

1816-88-2 | Ethanone, 2-azido-1-phenyl-

CAS No: 1816-88-2 Catalog No: AG0022YY MDL No:MFCD09745927

Product Description

Catalog Number:
AG0022YY
Chemical Name:
Ethanone, 2-azido-1-phenyl-
CAS Number:
1816-88-2
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD09745927
IUPAC Name:
2-azido-1-phenylethanone
InChI:
InChI=1S/C8H7N3O/c9-11-10-6-8(12)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
WRDIOBBSDOAUDU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CN=[N+]=[N-]

Properties

Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

Title Journal
Regioselective synthesis and structural elucidation of 1,4-disubstituted 1,2,3-triazole derivatives using 1D and 2D NMR spectral techniques. Magnetic resonance in chemistry : MRC 20111201
Localization of ASV integrase-DNA contacts by site-directed crosslinking and their structural analysis. PloS one 20110101
Synthesis of optically pure 2-azido-1-arylethanols with isolated enzymes and conversion to triazole-containing beta-blocker analogues employing click chemistry. The Journal of organic chemistry 20080815
Photolysis of alpha-azidoacetophenones: direct detection of triplet alkyl nitrenes in solution. The Journal of organic chemistry 20031017
Computer modeling of three-dimensional structure of DNA-packaging RNA (pRNA) monomer, dimer, and hexamer of Phi29 DNA packaging motor. The Journal of biological chemistry 20020607
Three-dimensional interaction of Phi29 pRNA dimer probed by chemical modification interference, cryo-AFM, and cross-linking. The Journal of biological chemistry 20010831

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