Name: Name:2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)acetonitrile
Brand: Angene
SKU: AG01A70N
Rating: 90 (10 reviews)

2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)acetonitrile

CAS No.:

1599242-32-6

Catalog Number:

AG01A70N

Molecular Formula:

C7H8ClN3

Molecular Weight:

169.6115

Catalog Number:

AG01A70N

Chemical Name:

2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)acetonitrile

CAS Number:

1599242-32-6

Molecular Formula:

C7H8ClN3

Molecular Weight:

169.6115

MDL Number:

MFCD26407635

IUPAC Name:

2-(5-chloro-1,3-dimethylpyrazol-4-yl)acetonitrile

InChI:

InChI=1S/C7H8ClN3/c1-5-6(3-4-9)7(8)11(2)10-5/h3H2,1-2H3

InChI Key:

YFBJZYXHGQPZRZ-UHFFFAOYSA-N

SMILES:

N#CCc1c(C)nn(c1Cl)C

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.612g/mol

Monoisotopic Mass:

169.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2