2-(6-Bromo-3-pyridyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione - CAS 1257642-70-8
Catalog: |
BB006252 |
Product Name: |
2-(6-Bromo-3-pyridyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
CAS: |
1257642-70-8 |
Synonyms: |
2-(6-bromo-3-pyridinyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; 2-(6-bromopyridin-3-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
IUPAC Name: | 2-(6-bromopyridin-3-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
Description: | 2-(6-Bromo-3-pyridyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione (CAS# 1257642-70-8 ) is a useful research chemical. |
Molecular Weight: | 312.91 |
Molecular Formula: | C10H10BrN2O4B |
Canonical SMILES: | B1(OC(=O)CN(CC(=O)O1)C)C2=CN=C(C=C2)Br |
InChI: | InChI=1S/C10H10BBrN2O4/c1-14-5-9(15)17-11(18-10(16)6-14)7-2-3-8(12)13-4-7/h2-4H,5-6H2,1H3 |
InChI Key: | QBUYZMWVRAWVGN-UHFFFAOYSA-N |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.9917 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.9917 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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