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Home > Nitro Compounds > 332163-15-2
332163-15-2 | 4-nitro-2-(1H-1,2,3,4-tetrazol-1-yl)phenol
CAS No: 332163-15-2 Catalog No: AG01AKBP MDL No:MFCD01819113
Product Description
Catalog Number:
AG01AKBP
Chemical Name:
4-nitro-2-(1H-1,2,3,4-tetrazol-1-yl)phenol
CAS Number:
332163-15-2
Molecular Formula:
C7H5N5O3
Molecular Weight:
207.1463
MDL Number:
MFCD01819113
IUPAC Name:
4-nitro-2-(tetrazol-1-yl)phenol
InChI:
InChI=1S/C7H5N5O3/c13-7-2-1-5(12(14)15)3-6(7)11-4-8-9-10-11/h1-4,13H
InChI Key:
WTSJYDYLGYNHRZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1n1cnnn1)[N+](=O)[O-]
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.149g/mol
Monoisotopic Mass:
207.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 4-Nitro-2-(1H-tetrazol-1-yl)phenol. | Acta crystallographica. Section C, Crystal structure communications 20011001 |
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