Home Halogens 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bR)-rel-

1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bR)-rel-

CAS No.:
129385-59-7
Catalog Number:
AG000Z3H
Molecular Formula:
C17H14ClNO2
Molecular Weight:
299.7516
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Product Description
Catalog Number:
AG000Z3H
Chemical Name:
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bR)-rel-
CAS Number:
129385-59-7
Molecular Formula:
C17H14ClNO2
Molecular Weight:
299.7516
MDL Number:
MFCD15145474
IUPAC Name:
(2S,6S)-17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-3-one
InChI:
InChI=1S/C17H14ClNO2/c1-19-9-13-11-4-2-3-5-14(11)21-15-7-6-10(18)8-12(15)16(13)17(19)20/h2-8,13,16H,9H2,1H3/t13-,16-/m1/s1
InChI Key:
OOUVAHYYJVOIIB-CZUORRHYSA-N
SMILES:
Clc1ccc2c(c1)[C@@H]1C(=O)N(C[C@H]1c1c(O2)cccc1)C
Properties
Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
299.071g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.754g/mol
Monoisotopic Mass:
299.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties