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1170701-78-6 | 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-, hydrochloride (1:1), (3aR,12bR)-rel-
CAS No: 1170701-78-6 Catalog No: AG000DNN MDL No:
Product Description
Catalog Number:
AG000DNN
Chemical Name:
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-, hydrochloride (1:1), (3aR,12bR)-rel-
CAS Number:
1170701-78-6
IUPAC Name:
(2R,6R)-9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene;hydrochloride
InChI:
InChI=1S/C16H14ClNO.ClH/c17-10-5-6-16-12(7-10)14-9-18-8-13(14)11-3-1-2-4-15(11)19-16;/h1-7,13-14,18H,8-9H2;1H/t13-,14-;/m0./s1
InChI Key:
ONMMHDIXIDXKTN-IODNYQNNSA-N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
307.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.202g/mol
Monoisotopic Mass:
307.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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