7-Amino-3,4-dihydro-1,4-benzoxazepin-5(2H)-one - CAS 1022969-21-6
Catalog: |
BB074289 |
Product Name: |
7-Amino-3,4-dihydro-1,4-benzoxazepin-5(2H)-one |
CAS: |
1022969-21-6 |
Synonyms: |
7-AMINO-3,4-DIHYDRO-1,4-BENZOXAZEPIN-5(2H)-ONE; 7-amino-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one; 7-Amino-3,4-dihydro-2H-benzo[f][1,4]oxazepin-5-one; 7-amino-3,4-dihydro-2H-1,4-benzoxazepin-5-one |
IUPAC Name: | 7-amino-3,4-dihydro-2H-1,4-benzoxazepin-5-one |
Molecular Weight: | 178.18 |
Molecular Formula: | C9H10N2O2 |
Canonical SMILES: | C1COC2=C(C=C(C=C2)N)C(=O)N1 |
InChI: | InChI=1S/C9H10N2O2/c10-6-1-2-8-7(5-6)9(12)11-3-4-13-8/h1-2,5H,3-4,10H2,(H,11,12) |
InChI Key: | FILSGOOINMONSL-UHFFFAOYSA-N |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.074227566 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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