5-Bromo-6-methoxyisoindolin-1-one - CAS 1427356-93-1
Catalog: |
BB009405 |
Product Name: |
5-Bromo-6-methoxyisoindolin-1-one |
CAS: |
1427356-93-1 |
Synonyms: |
5-bromo-6-methoxy-2,3-dihydroisoindol-1-one; 5-bromo-6-methoxy-2,3-dihydroisoindol-1-one |
IUPAC Name: | 5-bromo-6-methoxy-2,3-dihydroisoindol-1-one |
Description: | 5-Bromo-6-methoxyisoindolin-1-one (CAS# 1427356-93-1 ) is a useful research chemical. |
Molecular Weight: | 242.07 |
Molecular Formula: | C9H8BrNO2 |
Canonical SMILES: | COC1=C(C=C2CNC(=O)C2=C1)Br |
InChI: | InChI=1S/C9H8BrNO2/c1-13-8-3-6-5(2-7(8)10)4-11-9(6)12/h2-3H,4H2,1H3,(H,11,12) |
InChI Key: | XEHWYIJFOSJKLE-UHFFFAOYSA-N |
LogP: | 2.02990 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.97384 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Related Functional Groups
Indolines
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