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24541-44-4 | Phenol, 2-azido-
CAS No: 24541-44-4 Catalog No: AG002OHN MDL No:
Product Description
Catalog Number:
AG002OHN
Chemical Name:
Phenol, 2-azido-
CAS Number:
24541-44-4
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
IUPAC Name:
2-azidophenol
InChI:
InChI=1S/C6H5N3O/c7-9-8-5-3-1-2-4-6(5)10/h1-4,10H
InChI Key:
WYSAWGCLEHCQLX-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccccc1O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 2-[4-(2-Hy-droxy-propan-2-yl)-1H-1,2,3-triazol-1-yl]phenol. | Acta crystallographica. Section E, Structure reports online 20120401 |
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