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1415560-73-4 | 7-Bromo-5-methoxy-2-oxo-3,3a,8,10-tetrahydro-2H-4-oxa-9-azacyclohepta[def]fluorene-9(3a1H)-carbaldehyde
CAS No: 1415560-73-4 Catalog No: AG01D8VP MDL No:
Product Description
Catalog Number:
AG01D8VP
Chemical Name:
7-Bromo-5-methoxy-2-oxo-3,3a,8,10-tetrahydro-2H-4-oxa-9-azacyclohepta[def]fluorene-9(3a1H)-carbaldehyde
CAS Number:
1415560-73-4
Molecular Formula:
C16H14BrNO4
Molecular Weight:
364.1907
IUPAC Name:
4-bromo-2-methoxy-11-oxo-16-oxa-7-azatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),2,4,9-tetraene-7-carbaldehyde
InChI:
InChI=1S/C16H14BrNO4/c1-21-13-4-11(17)10-6-18(7-19)5-8-2-9(20)3-12-14(8)15(10)16(13)22-12/h2,4,7,12,14H,3,5-6H2,1H3
InChI Key:
PJVUSCPECBNUTJ-UHFFFAOYSA-N
SMILES:
O=CN1CC2=CC(=O)CC3C2c2c(C1)c(Br)cc(c2O3)OC
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.011g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.195g/mol
Monoisotopic Mass:
363.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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