3,4-Dibromoisoquinoline - CAS 36963-44-7
Catalog: |
BB023157 |
Product Name: |
3,4-Dibromoisoquinoline |
CAS: |
36963-44-7 |
Synonyms: |
3,4-dibromoisoquinoline; 3,4-dibromoisoquinoline |
IUPAC Name: | 3,4-dibromoisoquinoline |
Description: | 3,4-Dibromoisoquinoline (CAS# 36963-44-7) is a useful research chemical. |
Molecular Weight: | 286.95 |
Molecular Formula: | C9H5Br2N |
Canonical SMILES: | C1=CC=C2C(=C1)C=NC(=C2Br)Br |
InChI: | InChI=1S/C9H5Br2N/c10-8-7-4-2-1-3-6(7)5-12-9(8)11/h1-5H |
InChI Key: | QEYCAHPFXWCHRT-UHFFFAOYSA-N |
Boiling Point: | 360 ℃ at 760 mmHg |
Density: | 1.923 g/cm3 |
LogP: | 3.75980 |
Publication Number | Title | Priority Date |
US-2020155563-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20181030 |
US-2020163953-A1 | Compounds for Inhibition of Alpha 4 Beta 7 Integrin | 20181030 |
WO-2020092383-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20181030 |
WO-2020092401-A1 | COMPOUNDS FOR INHIBITION OF ALPHA 4β7 INTEGRIN | 20181030 |
TW-202033491-A | Compounds for inhibition of α4β7 integrin | 20181030 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.87682 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.87887 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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