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168267-12-7 | BENZALDEHYDE, 2-ETHOXY-5-(1H-TETRAZOL-1-YL)-
CAS No: 168267-12-7 Catalog No: AG001XYJ MDL No:
Product Description
Catalog Number:
AG001XYJ
Chemical Name:
BENZALDEHYDE, 2-ETHOXY-5-(1H-TETRAZOL-1-YL)-
CAS Number:
168267-12-7
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
IUPAC Name:
2-ethoxy-5-(tetrazol-1-yl)benzaldehyde
InChI:
InChI=1S/C10H10N4O2/c1-2-16-10-4-3-9(5-8(10)6-15)14-7-11-12-13-14/h3-7H,2H2,1H3
InChI Key:
PVPHLBRYORUEBF-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C=O)n1cnnn1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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