6-Bromo-3,4-dihydro-1H-[1,8]naphthyridin-2-one - CAS 129686-16-4
Catalog: |
BB072154 |
Product Name: |
6-Bromo-3,4-dihydro-1H-[1,8]naphthyridin-2-one |
CAS: |
129686-16-4 |
Synonyms: |
6-Bromo-3,4-dihydro-1,8-naphthyridin-2(1H)-one |
IUPAC Name: | 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one |
Description: | 6-Bromo-3,4-dihydro-1H-[1,8]naphthyridin-2-one (cas# 129686-16-4) is a compound useful in organic synthesis. |
Molecular Weight: | 227.06 |
Molecular Formula: | C8H7BrN2O |
Canonical SMILES: | C1CC(=O)NC2=C1C=C(C=N2)Br |
InChI: | InChI=1S/C8H7BrN2O/c9-6-3-5-1-2-7(12)11-8(5)10-4-6/h3-4H,1-2H2,(H,10,11,12) |
InChI Key: | VJEOGGNIBLORIJ-UHFFFAOYSA-N |
Melting Point: | 265-267°C |
Solubility: | DMSO |
Appearance: | Off- White to Yellow Solid |
Storage: | -20°C, Inert atmosphere |
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.97418 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.97418 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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