Name: Name:9-chloro-7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one
Brand: Angene
SKU: AG01A09U
Rating: 90 (10 reviews)

9-chloro-7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one

CAS No.:

1250774-56-1

Catalog Number:

AG01A09U

Molecular Formula:

C11H11ClO2

Molecular Weight:

210.6568

Catalog Number:

AG01A09U

Chemical Name:

9-chloro-7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one

CAS Number:

1250774-56-1

Molecular Formula:

C11H11ClO2

Molecular Weight:

210.6568

MDL Number:

MFCD16842065

IUPAC Name:

9-chloro-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-one

InChI:

InChI=1S/C11H11ClO2/c1-7-5-8-10(13)3-2-4-14-11(8)9(12)6-7/h5-6H,2-4H2,1H3

InChI Key:

AYDXGPRZKFWHFC-UHFFFAOYSA-N

SMILES:

Cc1cc(Cl)c2c(c1)C(=O)CCCO2

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.657g/mol

Monoisotopic Mass:

210.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7