Name: Name:5,6-dichloro-2-isocyanato-2-(trifluoromethyl)-2H-1,3-benzodioxole
Brand: Angene
SKU: AG01C5DZ
Rating: 90 (10 reviews)

5,6-dichloro-2-isocyanato-2-(trifluoromethyl)-2H-1,3-benzodioxole

CAS No.:

126867-25-2

Catalog Number:

AG01C5DZ

Molecular Formula:

C9H2Cl2F3NO3

Molecular Weight:

300.0183

Catalog Number:

AG01C5DZ

Chemical Name:

5,6-dichloro-2-isocyanato-2-(trifluoromethyl)-2H-1,3-benzodioxole

CAS Number:

126867-25-2

Molecular Formula:

C9H2Cl2F3NO3

Molecular Weight:

300.0183

MDL Number:

MFCD06762713

IUPAC Name:

5,6-dichloro-2-isocyanato-2-(trifluoromethyl)-1,3-benzodioxole

InChI:

InChI=1S/C9H2Cl2F3NO3/c10-4-1-6-7(2-5(4)11)18-9(17-6,15-3-16)8(12,13)14/h1-2H

InChI Key:

JSOFPERMVZDIAT-UHFFFAOYSA-N

SMILES:

O=C=NC1(Oc2c(O1)cc(c(c2)Cl)Cl)C(F)(F)F

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.936g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.014g/mol

Monoisotopic Mass:

298.936g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8