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144233-26-1 | Urea, N-methyl-N'-[3-(1H-tetrazol-1-yl)phenyl]-
CAS No: 144233-26-1 Catalog No: AG001J5D MDL No:
Product Description
Catalog Number:
AG001J5D
Chemical Name:
Urea, N-methyl-N'-[3-(1H-tetrazol-1-yl)phenyl]-
CAS Number:
144233-26-1
Molecular Formula:
C9H10N6O
Molecular Weight:
218.2153
IUPAC Name:
1-methyl-3-[3-(tetrazol-1-yl)phenyl]urea
InChI:
InChI=1S/C9H10N6O/c1-10-9(16)12-7-3-2-4-8(5-7)15-6-11-13-14-15/h2-6H,1H3,(H2,10,12,16)
InChI Key:
WVGDYAKAMYDKET-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1cccc(c1)n1cnnn1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.22g/mol
Monoisotopic Mass:
218.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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