7-Amino-4-chloro-2,3-dihydro-1H-isoindol-1-one - CAS 2098309-99-8
Catalog: |
BB075357 |
Product Name: |
7-Amino-4-chloro-2,3-dihydro-1H-isoindol-1-one |
CAS: |
2098309-99-8 |
Synonyms: |
7-amino-4-chloroisoindolin-1-one; 7-amino-4-chloro-2,3-dihydroisoindol-1-one; 7-amino-4-chloro-2,3-dihydro-1H-isoindol-1-one |
IUPAC Name: | 7-amino-4-chloro-2,3-dihydroisoindol-1-one |
Molecular Weight: | 182.61 |
Molecular Formula: | C8H7ClN2O |
Canonical SMILES: | C1C2=C(C=CC(=C2C(=O)N1)N)Cl |
InChI: | InChI=1S/C8H7ClN2O/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3,10H2,(H,11,12) |
InChI Key: | OHIMSIPWYQQONK-UHFFFAOYSA-N |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0246905 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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