1-Acetyl-4-bromo-1H-indazole - CAS 885698-70-4
Catalog: |
BB039012 |
Product Name: |
1-Acetyl-4-bromo-1H-indazole |
CAS: |
885698-70-4 |
Synonyms: |
1-(4-bromo-1-indazolyl)ethanone; 1-(4-bromoindazol-1-yl)ethanone |
IUPAC Name: | 1-(4-bromoindazol-1-yl)ethanone |
Description: | 1-Acetyl-4-bromo-1H-indazole (CAS# 885698-70-4) is a useful research chemical. |
Molecular Weight: | 239.07 |
Molecular Formula: | C9H7BrN2O |
Canonical SMILES: | CC(=O)N1C2=C(C=N1)C(=CC=C2)Br |
InChI: | InChI=1S/C9H7BrN2O/c1-6(13)12-9-4-2-3-8(10)7(9)5-11-12/h2-5H,1H3 |
InChI Key: | MZBRBDKGAIDUPD-UHFFFAOYSA-N |
LogP: | 2.45890 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2890698-A1 | Dioxino- and oxazin-[2,3-d]pyrimidine pi3k inhibitor compounds and methods of use | 20120830 |
EP-2890698-B1 | Dioxino- and oxazin-[2,3-d]pyrimidine pi3k inhibitor compounds and methods of use | 20120830 |
JP-2015526492-A | Dioxino- and oxazine- [2,3-D] pyrimidine PI3K inhibitor compounds and methods of use | 20120830 |
JP-6022691-B2 | Dioxino- and oxazine- [2,3-D] pyrimidine PI3K inhibitor compounds and methods of use | 20120830 |
KR-101697444-B1 | Dioxino- and oxazin-[2,3-d]pyrimidine pi3k inhibitor compounds and methods of use | 20120830 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.97418 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.97418 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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