5-Bromo-1(2H)-phthalazinone - CAS 1433204-06-8
Catalog: |
BB072008 |
Product Name: |
5-Bromo-1(2H)-phthalazinone |
CAS: |
1433204-06-8 |
Synonyms: |
5-bromo-2H-phthalazin-1-one; 5-bromophthalazin-1(2H)-one; 5-bromo-1,2-dihydrophthalazin-1-one |
IUPAC Name: | 5-bromo-2H-phthalazin-1-one |
Molecular Weight: | 225.04 |
Molecular Formula: | C8H5BrN2O |
Canonical SMILES: | C1=CC2=C(C=NNC2=O)C(=C1)Br |
InChI: | InChI=1S/C8H5BrN2O/c9-7-3-1-2-5-6(7)4-10-11-8(5)12/h1-4H,(H,11,12) |
InChI Key: | CWAACMNYIMGXFD-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 229 |
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: | 0 |
Topological Polar Surface Area: | 41.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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