Name: Name:4-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile
Brand: Angene
SKU: AG019O6Q
Rating: 90 (10 reviews)

4-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile

CAS No.:

213251-00-4

Catalog Number:

AG019O6Q

Molecular Formula:

C8H7ClN2OS

Molecular Weight:

214.6720

Catalog Number:

AG019O6Q

Chemical Name:

4-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile

CAS Number:

213251-00-4

Molecular Formula:

C8H7ClN2OS

Molecular Weight:

214.6720

MDL Number:

MFCD06655579

IUPAC Name:

4-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile

InChI:

InChI=1S/C8H7ClN2OS/c1-5-4-13-8(11-5)6(3-10)7(12)2-9/h4,6H,2H2,1H3

InChI Key:

PNGLQTHQSOANNR-UHFFFAOYSA-N

SMILES:

Cc1csc(n1)C(C(=O)CCl)C#N

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.997g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.667g/mol

Monoisotopic Mass:

213.997g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6