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912356-09-3

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Basic Information
CAS No.: 912356-09-3
Name: (3aR,12bS)-rel-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
Article Data: 7
Molecular Structure:
Molecular Structure of 912356-09-3 ((3aR,12bS)-rel-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one)
Formula: C17H14ClNO2
Molecular Weight: 299.757
Synonyms: (3aR,12bS)-5-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one;(3aR,12bS)-rel-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one;(3AR,12BS)-REL-5-CHLORO-2,3,3A,12B-TETRAHYDRO-2-METHYL-1H-DIBENZ[2,3:6,7] OXEPINO[4,5-C]PYRROL-1-ONE;CIS-5-CHLORO-2,3,3A,12B-TETRAHYDRO-2-METHYL-1H-DIBENZ[2,3:6,7]OXEPINO[4,5-C]PYRROLE-1-ONE;
Density: 1.311
PSA: 29.54000
LogP: 3.72300
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Specification

The (3aR,12bS)-rel-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, with the CAS registry number 912356-09-3, is also known as 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bS)-rel-. This chemical's molecular formula is C17H14ClNO2 and molecular weight is 299.75. What's more, its systematic name is (3aR,12bS)-5-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1C[C@H]2c3cc(ccc3Oc4ccccc4[C@H]2C1=O)Cl
(2)Std. InChI: InChI=1S/C17H14ClNO2/c1-19-9-13-12-8-10(18)6-7-15(12)21-14-5-3-2-4-11(14)16(13)17(19)20/h2-8,13,16H,9H2,1H3/t13-,16+/m0/s1
(3)Std. InChIKey: IHRQBJYWHVRTCP-XJKSGUPXSA-N