200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 122584-14-9
122584-14-9 | 6H-Benzofuro[3a,3,2-ef][2]benzazepine-11(12H)-carboxaldehyde, 1-bromo-4a,5,9,10-tetrahydro-3-methoxy-6-oxo-, (4aR,8aR)-rel-
CAS No: 122584-14-9 Catalog No: AG0017HL MDL No:
Product Description
Catalog Number:
AG0017HL
Chemical Name:
6H-Benzofuro[3a,3,2-ef][2]benzazepine-11(12H)-carboxaldehyde, 1-bromo-4a,5,9,10-tetrahydro-3-methoxy-6-oxo-, (4aR,8aR)-rel-
CAS Number:
122584-14-9
Molecular Formula:
C17H16BrNO4
Molecular Weight:
378.2172
IUPAC Name:
(1R,12R)-7-bromo-9-methoxy-14-oxo-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-4-carbaldehyde
InChI:
InChI=1S/C17H16BrNO4/c1-22-13-7-12(18)11-8-19(9-20)5-4-17-3-2-10(21)6-14(17)23-16(13)15(11)17/h2-3,7,9,14H,4-6,8H2,1H3/t14-,17-/m1/s1
InChI Key:
VYCRYYLXLRMMQK-RHSMWYFYSA-N
SMILES:
O=CN1CC[C@]23c4c(C1)c(Br)cc(c4O[C@@H]3CC(=O)C=C2)OC
EC Number:
602-790-8
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
377.026g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.222g/mol
Monoisotopic Mass:
377.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.