Name: Name:(S)-3,10-dibromo-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole
Brand: Angene
SKU: AG009CLV
Rating: 90 (10 reviews)

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

CAS No.:

1392102-38-3

Catalog Number:

AG009CLV

Molecular Formula:

C21H13Br2NO

Molecular Weight:

455.1420

Catalog Number:

AG009CLV

Chemical Name:

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

CAS Number:

1392102-38-3

Molecular Formula:

C21H13Br2NO

Molecular Weight:

455.1420

MDL Number:

MFCD27644707

IUPAC Name:

(6S)-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/t21-/m0/s1

InChI Key:

KPQPIDWSRMFMHO-NRFANRHFSA-N

SMILES:

Brc1ccc2c(c1)O[C@H](n1c2cc2c1ccc(c2)Br)c1ccccc1

EC Number:

813-156-7

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