Name: Name:2-Benzothiazoleacetonitrile,5-chloro-(9CI)
Brand: Angene
SKU: AG00AV9J
Rating: 90 (10 reviews)

2-Benzothiazoleacetonitrile,5-chloro-(9CI)

CAS No.:

157764-03-9

Catalog Number:

AG00AV9J

Molecular Formula:

C9H5ClN2S

Molecular Weight:

208.6674

Catalog Number:

AG00AV9J

Chemical Name:

2-Benzothiazoleacetonitrile,5-chloro-(9CI)

CAS Number:

157764-03-9

Molecular Formula:

C9H5ClN2S

Molecular Weight:

208.6674

MDL Number:

MFCD08271857

IUPAC Name:

2-(5-chloro-1,3-benzothiazol-2-yl)acetonitrile

InChI:

InChI=1S/C9H5ClN2S/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3H2

InChI Key:

GCOTWHHKZPEEEV-UHFFFAOYSA-N

SMILES:

N#CCc1nc2c(s1)ccc(c2)Cl

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.986g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.663g/mol

Monoisotopic Mass:

207.986g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7