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1012884-46-6 | 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3-dihydro-2-methyl-
CAS No: 1012884-46-6 Catalog No: AG00044W MDL No:MFCD15145473
Product Description
Catalog Number:
AG00044W
Chemical Name:
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3-dihydro-2-methyl-
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
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
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