Name: Name:4,7-dibromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one
Brand: Angene
SKU: AG0091Q2
Rating: 90 (10 reviews)

4,7-dibromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

CAS No.:

1189817-30-8

Catalog Number:

AG0091Q2

Molecular Formula:

C10H8Br2O2

Molecular Weight:

319.9773

Catalog Number:

AG0091Q2

Chemical Name:

4,7-dibromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

CAS Number:

1189817-30-8

Molecular Formula:

C10H8Br2O2

Molecular Weight:

319.9773

MDL Number:

MFCD27942052

IUPAC Name:

4,7-dibromo-3,4-dihydro-2H-1-benzoxepin-5-one

InChI:

InChI=1S/C10H8Br2O2/c11-6-1-2-9-7(5-6)10(13)8(12)3-4-14-9/h1-2,5,8H,3-4H2

InChI Key:

ISQJJKIRKHUOOI-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)C(=O)C(Br)CCO2

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

319.887g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

319.98g/mol

Monoisotopic Mass:

317.889g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3