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1012884-46-6,MFCD15145473
Catalog No.:AA000424
1012884-46-6 | 11-Chloro-2,3-dihydro-2-methyl-1h-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
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1g
98%(HPLC)
in stock  
$62.00   $43.00
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5g
98%(HPLC)
in stock  
$146.00   $102.00
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10g
98%(HPLC)
in stock  
$209.00   $147.00
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25g
98%(HPLC)
in stock  
$404.00   $283.00
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  • Technical Information
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Technical Information
Catalog Number:
AA000424
Chemical Name:
11-Chloro-2,3-dihydro-2-methyl-1h-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
CAS Number:
1012884-46-6
Molecular Formula:
C17H12ClNO2
Molecular Weight:
297.7357
MDL Number:
MFCD15145473
IUPAC Name:
17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),7,9,11,15,17-heptaen-3-one
InChI:
InChI=1S/C17H12ClNO2/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/h2-8H,9H2,1H3
InChI Key:
KXKUDCTZEMWVDQ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C1=C(CN(C1=O)C)c1c(O2)cccc1
Properties
Computed Properties
 
Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.056g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.738g/mol
Monoisotopic Mass:
297.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
1012884-46-6 
11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
KS-00000Q6J 
0363AA 
ANW-62855 
MFCD15145473 
ZINC34126533 
AKOS016004062 
AC-26427 
AJ-87080 
AK101594 
AS-10031 
11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
DB-058588 
TC-151600 
FT-0701646 
ST24038234 
11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3 
884D466 
11 -chloro-2-methyl-2,3 -dihydro-1H-dibenzo [2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
11-Chloro-2,3-dihydro-2-methyl-1H- dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
11-chloro-2-methyl-2,3-dihydro-1H-dibenzo [2,3:6,7] oxepino [4,5-c]pyrrol-1-one 
11-chloro-2-methyl-2,3-dihydro-1H-dibenzo [2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3-dihydro-2-methyl- 
C17H12ClNO2 
CID10357298 
CID 10357298 
5-Chloro-2-methyl-2,3-dihydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole-(2H)-one 
934996-79-9 
KXKUDCTZEMWVDQ-UHFFFAOYSA-N 
SCHEMBL3152103 
CTK8B9660 
DTXSID20438689 
BCP10013 
CS-M0228 
Literature
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