3-Bromo-1H-indazole-5-carboxaldehyde - CAS 1086391-08-3
Catalog: |
BB002304 |
Product Name: |
3-Bromo-1H-indazole-5-carboxaldehyde |
CAS: |
1086391-08-3 |
Synonyms: |
3-bromo-2H-indazole-5-carbaldehyde |
IUPAC Name: | 3-bromo-2H-indazole-5-carbaldehyde |
Description: | 3-Bromo-1H-indazole-5-carboxaldehyde (CAS# 1086391-08-3) is a useful research chemical compound. |
Molecular Weight: | 225.04 |
Molecular Formula: | C8H5BrN2O |
Canonical SMILES: | C1=CC2=NNC(=C2C=C1C=O)Br |
InChI: | InChI=1S/C8H5BrN2O/c9-8-6-3-5(4-12)1-2-7(6)10-11-8/h1-4H,(H,10,11) |
InChI Key: | HUUXQTDSLDFUQW-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD11499015 |
LogP: | 2.13790 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2016311425-A1 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | 20150826 |
EA-034781-B1 | Aryl, heteroaryl and heterocyclic compounds for the treatment of disorder mediated by complement factor D | 20150826 |
EP-3340981-A1 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | 20150826 |
JP-2018526367-A | Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders | 20150826 |
TW-201722932-A | Aryl, heteroaryl and heterocyclic compounds for the treatment of medical conditions | 20150826 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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