2-[(5-Tetrazolyl)methyl]isoindoline-1,3-dione - CAS 114841-44-0
Catalog: |
BB003439 |
Product Name: |
2-[(5-Tetrazolyl)methyl]isoindoline-1,3-dione |
CAS: |
114841-44-0 |
Synonyms: |
2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione; 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione |
IUPAC Name: | 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione |
Description: | 2-[(5-Tetrazolyl)methyl]isoindoline-1,3-dione (CAS# 114841-44-0 ) is a useful research chemical. |
Molecular Weight: | 229.19 |
Molecular Formula: | C10H7N5O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NNN=N3 |
InChI: | InChI=1S/C10H7N5O2/c16-9-6-3-1-2-4-7(6)10(17)15(9)5-8-11-13-14-12-8/h1-4H,5H2,(H,11,12,13,14) |
InChI Key: | VFUQQSCRUOAHCE-UHFFFAOYSA-N |
MDL: | MFCD16242164 |
LogP: | -0.06620 |
Publication Number | Title | Priority Date |
US-2004197268-A1 | Method of imaging amyloid deposits using substituted rhodanine derivatives | 19990610 |
CA-2005476-A1 | Anti-tumour agents | 19881215 |
EP-0373891-A2 | Anti-tumour agents | 19881215 |
EP-0373891-B1 | Anti-tumour agents | 19881215 |
GB-2227016-A | Quinazoline derivatives | 19881215 |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.05997448 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.05997448 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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