Name: Name:7-(Chloromethyl);-3,4-dihydro-2H-benzo[b][1,4]dioxepine
Brand: Angene
SKU: AG005P7V
Rating: 90 (10 reviews)

7-(Chloromethyl);-3,4-dihydro-2H-benzo[b][1,4]dioxepine

CAS No.:

67869-70-9

Catalog Number:

AG005P7V

Molecular Formula:

C10H11ClO2

Molecular Weight:

198.6461

Catalog Number:

AG005P7V

Chemical Name:

7-(Chloromethyl);-3,4-dihydro-2H-benzo[b][1,4]dioxepine

CAS Number:

67869-70-9

Molecular Formula:

C10H11ClO2

Molecular Weight:

198.6461

MDL Number:

MFCD03011383

IUPAC Name:

7-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine

InChI:

InChI=1S/C10H11ClO2/c11-7-8-2-3-9-10(6-8)13-5-1-4-12-9/h2-3,6H,1,4-5,7H2

InChI Key:

PXZCFOABYOEFPQ-UHFFFAOYSA-N

SMILES:

ClCc1ccc2c(c1)OCCCO2

Complexity:

163

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.646g/mol

Monoisotopic Mass:

198.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

18.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6