Name: Name:6-chloro-8-(2-chloroethyl)-3,4-dihydro-2H-1,5-benzodioxepine
Brand: Angene
SKU: AG01A4QI
Rating: 90 (10 reviews)

6-chloro-8-(2-chloroethyl)-3,4-dihydro-2H-1,5-benzodioxepine

CAS No.:

1339128-13-0

Catalog Number:

AG01A4QI

Molecular Formula:

C11H12Cl2O2

Molecular Weight:

247.1178

Catalog Number:

AG01A4QI

Chemical Name:

6-chloro-8-(2-chloroethyl)-3,4-dihydro-2H-1,5-benzodioxepine

CAS Number:

1339128-13-0

Molecular Formula:

C11H12Cl2O2

Molecular Weight:

247.1178

MDL Number:

MFCD20432657

IUPAC Name:

6-chloro-8-(2-chloroethyl)-3,4-dihydro-2H-1,5-benzodioxepine

InChI:

InChI=1S/C11H12Cl2O2/c12-3-2-8-6-9(13)11-10(7-8)14-4-1-5-15-11/h6-7H,1-5H2

InChI Key:

HYNZCZHGWPSOSM-UHFFFAOYSA-N

SMILES:

ClCCc1cc2OCCCOc2c(c1)Cl

Complexity:

201

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.115g/mol

Monoisotopic Mass:

246.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

18.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5