Name: Name:8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one
Brand: Angene
SKU: AG001FXJ
Rating: 90 (10 reviews)

8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

CAS No.:

141106-23-2

Catalog Number:

AG001FXJ

Molecular Formula:

C10H9BrO2

Molecular Weight:

241.0813

Catalog Number:

AG001FXJ

Chemical Name:

8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

CAS Number:

141106-23-2

Molecular Formula:

C10H9BrO2

Molecular Weight:

241.0813

MDL Number:

MFCD09040560

IUPAC Name:

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

InChI:

InChI=1S/C10H9BrO2/c11-7-3-4-8-9(12)2-1-5-13-10(8)6-7/h3-4,6H,1-2,5H2

InChI Key:

LXKQMHNFHKVGAZ-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)OCCCC2=O

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.979g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.084g/mol

Monoisotopic Mass:

239.979g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4