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271-35-2 | 1H-Pyrrolo[2,3-d]pyridazine
CAS No: 271-35-2 Catalog No: AG003EEX MDL No:MFCD11110435
Product Description
Catalog Number:
AG003EEX
Chemical Name:
1H-Pyrrolo[2,3-d]pyridazine
CAS Number:
271-35-2
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
MDL Number:
MFCD11110435
IUPAC Name:
1H-pyrrolo[2,3-d]pyridazine
InChI:
InChI=1S/C6H5N3/c1-2-7-6-4-9-8-3-5(1)6/h1-4,7H
InChI Key:
PCRSIUOCDHDRMN-UHFFFAOYSA-N
SMILES:
n1ncc2c(c1)[nH]cc2
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
119.127g/mol
Monoisotopic Mass:
119.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide. | Organic letters 20110401 |
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