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144223-32-5 | Methanone, 1H-benzotriazol-1-yl-1H-pyrrol-2-yl-
CAS No: 144223-32-5 Catalog No: AG001J4M MDL No:MFCD00962972
Product Description
Catalog Number:
AG001J4M
Chemical Name:
Methanone, 1H-benzotriazol-1-yl-1H-pyrrol-2-yl-
CAS Number:
144223-32-5
Molecular Formula:
C11H8N4O
Molecular Weight:
212.2074
MDL Number:
MFCD00962972
IUPAC Name:
benzotriazol-1-yl(1H-pyrrol-2-yl)methanone
InChI:
InChI=1S/C11H8N4O/c16-11(9-5-3-7-12-9)15-10-6-2-1-4-8(10)13-14-15/h1-7,12H
InChI Key:
JDNIHKCPHBBAHS-UHFFFAOYSA-N
SMILES:
O=C(n1nnc2c1cccc2)c1ccc[nH]1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.212g/mol
Monoisotopic Mass:
212.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Novel synthesis of bicycles with fused pyrrole, indole, oxazole, and imidazole rings. | The Journal of organic chemistry 20041224 |
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