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Home > Aldehydes > 168267-79-6
168267-79-6 | Benzaldehyde, 2-methoxy-5-(2H-tetrazol-2-yl)-
CAS No: 168267-79-6 Catalog No: AG001XYF MDL No:
Product Description
Catalog Number:
AG001XYF
Chemical Name:
Benzaldehyde, 2-methoxy-5-(2H-tetrazol-2-yl)-
CAS Number:
168267-79-6
Molecular Formula:
C9H8N4O2
Molecular Weight:
204.1854
IUPAC Name:
2-methoxy-5-(tetrazol-2-yl)benzaldehyde
InChI:
InChI=1S/C9H8N4O2/c1-15-9-3-2-8(4-7(9)5-14)13-11-6-10-12-13/h2-6H,1H3
InChI Key:
BQLVODDCLKODKL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC)n1nncn1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.189g/mol
Monoisotopic Mass:
204.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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