Name: Name:4-[4-(chloromethyl)-1-methyl-1H-pyrazol-3-yl]benzonitrile
Brand: Angene
SKU: AG01A5Z5
Rating: 90 (10 reviews)

4-[4-(chloromethyl)-1-methyl-1H-pyrazol-3-yl]benzonitrile

CAS No.:

1461706-55-7

Catalog Number:

AG01A5Z5

Molecular Formula:

C12H10ClN3

Molecular Weight:

231.6809

Catalog Number:

AG01A5Z5

Chemical Name:

4-[4-(chloromethyl)-1-methyl-1H-pyrazol-3-yl]benzonitrile

CAS Number:

1461706-55-7

Molecular Formula:

C12H10ClN3

Molecular Weight:

231.6809

MDL Number:

MFCD25371648

IUPAC Name:

4-[4-(chloromethyl)-1-methylpyrazol-3-yl]benzonitrile

InChI:

InChI=1S/C12H10ClN3/c1-16-8-11(6-13)12(15-16)10-4-2-9(7-14)3-5-10/h2-5,8H,6H2,1H3

InChI Key:

JMHMAMAIEVDBQZ-UHFFFAOYSA-N

SMILES:

ClCc1cn(nc1c1ccc(cc1)C#N)C

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.683g/mol

Monoisotopic Mass:

231.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: