Name: Name:8-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one
Brand: Angene
SKU: AG01C73H
Rating: 90 (10 reviews)

8-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

CAS No.:

1396777-41-5

Catalog Number:

AG01C73H

Molecular Formula:

C9H8BrNO2

Molecular Weight:

242.0693

Catalog Number:

AG01C73H

Chemical Name:

8-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

CAS Number:

1396777-41-5

Molecular Formula:

C9H8BrNO2

Molecular Weight:

242.0693

MDL Number:

MFCD26900579

IUPAC Name:

8-bromo-3,4-dihydro-2H-1,4-benzoxazepin-5-one

InChI:

InChI=1S/C9H8BrNO2/c10-6-1-2-7-8(5-6)13-4-3-11-9(7)12/h1-2,5H,3-4H2,(H,11,12)

InChI Key:

OQXPXEVRPQEGOM-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)OCCNC2=O

Complexity:

210

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.072g/mol

Monoisotopic Mass:

240.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6