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88404-29-9 | Ethanone, 1-(4-methoxyphenyl)-2-(2H-tetrazol-2-yl)-
CAS No: 88404-29-9 Catalog No: AG004IAK MDL No:
Product Description
Catalog Number:
AG004IAK
Chemical Name:
Ethanone, 1-(4-methoxyphenyl)-2-(2H-tetrazol-2-yl)-
CAS Number:
88404-29-9
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
IUPAC Name:
1-(4-methoxyphenyl)-2-(tetrazol-2-yl)ethanone
InChI:
InChI=1S/C10H10N4O2/c1-16-9-4-2-8(3-5-9)10(15)6-14-12-7-11-13-14/h2-5,7H,6H2,1H3
InChI Key:
FGOAKZLWFAJPQO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Cn1nncn1
Properties
Complexity:
241
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:
1.6
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