Name: Name:2-(7-chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)acetonitrile
Brand: Angene
SKU: AG019V2D
Rating: 90 (10 reviews)

2-(7-chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)acetonitrile

CAS No.:

57899-19-1

Catalog Number:

AG019V2D

Molecular Formula:

C12H12ClNO

Molecular Weight:

221.6828

Catalog Number:

AG019V2D

Chemical Name:

2-(7-chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)acetonitrile

CAS Number:

57899-19-1

Molecular Formula:

C12H12ClNO

Molecular Weight:

221.6828

MDL Number:

MFCD27920386

IUPAC Name:

2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)acetonitrile

InChI:

InChI=1S/C12H12ClNO/c1-12(2)7-9-5-8(3-4-14)6-10(13)11(9)15-12/h5-6H,3,7H2,1-2H3

InChI Key:

JCMMQOYEWSTLQI-UHFFFAOYSA-N

SMILES:

N#CCc1cc2CC(Oc2c(c1)Cl)(C)C

Complexity:

293

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.684g/mol

Monoisotopic Mass:

221.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

33A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8