7-Bromo-4-chloroisoindolin-1-one - CAS 1427357-41-2
Catalog: |
BB073748 |
Product Name: |
7-Bromo-4-chloroisoindolin-1-one |
CAS: |
1427357-41-2 |
Synonyms: |
7-Bromo-4-chloro-2,3-dihydro-1H-isoindol-1-one; 7-bromo-4-chloroisoindolin-1-one |
IUPAC Name: | 7-bromo-4-chloro-2,3-dihydroisoindol-1-one |
Molecular Weight: | 246.49 |
Molecular Formula: | C8H5BrClNO |
Canonical SMILES: | C1C2=C(C=CC(=C2C(=O)N1)Br)Cl |
InChI: | InChI=1S/C8H5BrClNO/c9-5-1-2-6(10)4-3-11-8(12)7(4)5/h1-2H,3H2,(H,11,12) |
InChI Key: | AWCYSBAVPILZEC-UHFFFAOYSA-N |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.9243 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.9243 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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