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88267-84-9 | 4(1H)-Quinazolinone, 1-methyl-2-(1H-tetrazol-5-yl)-
CAS No: 88267-84-9 Catalog No: AG0049YZ MDL No:
Product Description
Catalog Number:
AG0049YZ
Chemical Name:
4(1H)-Quinazolinone, 1-methyl-2-(1H-tetrazol-5-yl)-
CAS Number:
88267-84-9
Molecular Formula:
C10H8N6O
Molecular Weight:
228.2101
IUPAC Name:
1-methyl-2-(2H-tetrazol-5-yl)quinazolin-4-one
InChI:
InChI=1S/C10H8N6O/c1-16-7-5-3-2-4-6(7)10(17)11-9(16)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)
InChI Key:
KHYCMLYIJBSGKG-UHFFFAOYSA-N
SMILES:
Cn1c(nc(=O)c2c1cccc2)c1nnn[nH]1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.215g/mol
Monoisotopic Mass:
228.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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