Methyl 3-Iodo-1H-indazole-6-carboxylate - CAS 885518-82-1
Catalog: |
BB038966 |
Product Name: |
Methyl 3-Iodo-1H-indazole-6-carboxylate |
CAS: |
885518-82-1 |
Synonyms: |
3-iodo-2H-indazole-6-carboxylic acid methyl ester; methyl 3-iodo-2H-indazole-6-carboxylate |
IUPAC Name: | methyl 3-iodo-2H-indazole-6-carboxylate |
Description: | Methyl 3-Iodo-1H-indazole-6-carboxylate (CAS# 885518-82-1) is a useful research chemical. |
Molecular Weight: | 302.07 |
Molecular Formula: | C9H7IN2O2 |
Canonical SMILES: | COC(=O)C1=CC2=NNC(=C2C=C1)I |
InChI: | InChI=1S/C9H7IN2O2/c1-14-9(13)5-2-3-6-7(4-5)11-12-8(6)10/h2-4H,1H3,(H,11,12) |
InChI Key: | VSXHXVGWOSYULI-UHFFFAOYSA-N |
Boiling Point: | 421.4 ℃ at 760 mmHg |
Density: | 1.948 g/cm3 |
Appearance: | Solid |
MDL: | MFCD07781616 |
LogP: | 1.95410 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127166-A1 | Inhibitors of enl/af9 yeats | 20191217 |
CN-111825595-A | Sodium channel blockers | 20190415 |
EP-3589287-A1 | Macrocyclic compounds for treatment of medical disorders | 20170301 |
US-2019382376-A1 | Pharmaceutical compounds for treatment of medical disorders | 20170301 |
US-2020002347-A1 | Macrocyclic compounds for treatment of medical disorders | 20170301 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.95523 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.95523 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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