Name: Name:3,10-dibromo-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole
Brand: Angene
SKU: AG009JAG
Rating: 90 (10 reviews)

3,10-dibromo-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole

CAS No.:

1369594-56-8

Catalog Number:

AG009JAG

Molecular Formula:

C21H13Br2NO

Molecular Weight:

455.1420

Catalog Number:

AG009JAG

Chemical Name:

3,10-dibromo-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole

CAS Number:

1369594-56-8

Molecular Formula:

C21H13Br2NO

Molecular Weight:

455.1420

MDL Number:

MFCD31630964

IUPAC Name:

3,10-dibromo-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine

InChI:

InChI=1S/C21H13Br2NO/c22-15-7-9-18-14(10-15)11-19-17-8-6-16(23)12-20(17)25-21(24(18)19)13-4-2-1-3-5-13/h1-12,21H

InChI Key:

KPQPIDWSRMFMHO-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)OC(n1c2cc2c1ccc(c2)Br)c1ccccc1

Complexity:

483

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

454.934g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

455.149g/mol

Monoisotopic Mass:

452.936g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

14.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.5