3-Bromo-3-methylpyrrolidine-2,5-dione - CAS 69636-52-8
Catalog: |
BB073343 |
Product Name: |
3-Bromo-3-methylpyrrolidine-2,5-dione |
CAS: |
69636-52-8 |
Synonyms: |
3-bromo-3-methyl-pyrrolidine-2,5-dione; 3-bromo-3-methylpyrrolidine-2,5-dione |
IUPAC Name: | 3-bromo-3-methylpyrrolidine-2,5-dione |
Molecular Weight: | 192.01 |
Molecular Formula: | C5H6BrNO2 |
Canonical SMILES: | CC1(CC(=O)NC1=O)Br |
InChI: | InChI=1S/C5H6BrNO2/c1-5(6)2-3(8)7-4(5)9/h2H2,1H3,(H,7,8,9) |
InChI Key: | MQZHFIWYQMVPOB-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.95819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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