5-bromoisoindoline - CAS 127168-84-7
Catalog: |
BB006736 |
Product Name: |
5-bromoisoindoline |
CAS: |
127168-84-7 |
Synonyms: |
5-bromo-2,3-dihydro-1H-isoindole; 5-bromo-2,3-dihydro-1H-isoindole |
IUPAC Name: | 5-bromo-2,3-dihydro-1H-isoindole |
Description: | 5-bromoisoindoline (CAS# 127168-84-7) is an intermediate used in the synthesis of 2,3-dihydro-1H-isoindoles with high affinity and selectivity for dopamine D3 receptor. |
Molecular Weight: | 198.06 |
Molecular Formula: | C8H8BrN |
Canonical SMILES: | C1C2=C(CN1)C=C(C=C2)Br |
InChI: | InChI=1S/C8H8BrN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2 |
InChI Key: | KJCXRORGYAHAAH-UHFFFAOYSA-N |
Boiling Point: | 253.4±40.0 ℃ at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
MDL: | MFCD08234718 |
LogP: | 2.38110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021120890-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
WO-2021124222-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
WO-2021127356-A1 | Substituted Bicyclic and Tricyclic Ureas and Amides, Analogues Thereof, and Methods Using Same | 20191220 |
WO-2021093795-A1 | Rock inhibitor, preparation method therefor and use thereof | 20191115 |
CN-111909138-A | Compounds that inhibit TDG activity | 20190509 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.98401 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.98401 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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