Tert-Butyl 5-Bromoisoindoline-2-Carboxylate - CAS 201940-08-1
Catalog: |
BB042531 |
Product Name: |
Tert-Butyl 5-Bromoisoindoline-2-Carboxylate |
CAS: |
201940-08-1 |
Synonyms: |
N-BOC-5-BROMOISOINDOLINE; tert-butyl 5-bromo-2,3-dihydro-1H-isoindole-2-carboxylate; tert-butyl 5-bromo-1,3-dihydro-2H-isoindole-2-carboxylate |
IUPAC Name: | tert-butyl 5-bromo-1,3-dihydroisoindole-2-carboxylate |
Description: | Tert-Butyl 5-Bromoisoindoline-2-Carboxylate (CAS# 201940-08-1 ) is a useful research chemical. |
Molecular Weight: | 298.18 |
Molecular Formula: | C13H16BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)Br |
InChI: | InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-7-9-4-5-11(14)6-10(9)8-15/h4-6H,7-8H2,1-3H3 |
InChI Key: | GOKHEUCWNVPUSC-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
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: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.03644 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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