Name: Name:4-(4-formyl-1-methyl-1H-pyrazol-3-yl)benzonitrile
Brand: Angene
SKU: AG01A54V
Rating: 90 (10 reviews)

4-(4-formyl-1-methyl-1H-pyrazol-3-yl)benzonitrile

CAS No.:

1152508-50-3

Catalog Number:

AG01A54V

Molecular Formula:

C12H9N3O

Molecular Weight:

211.2194

Catalog Number:

AG01A54V

Chemical Name:

4-(4-formyl-1-methyl-1H-pyrazol-3-yl)benzonitrile

CAS Number:

1152508-50-3

Molecular Formula:

C12H9N3O

Molecular Weight:

211.2194

MDL Number:

MFCD11180177

IUPAC Name:

4-(4-formyl-1-methylpyrazol-3-yl)benzonitrile

InChI:

InChI=1S/C12H9N3O/c1-15-7-11(8-16)12(14-15)10-4-2-9(6-13)3-5-10/h2-5,7-8H,1H3

InChI Key:

JEJIMSCXLGDPSL-UHFFFAOYSA-N

SMILES:

O=Cc1cn(nc1c1ccc(cc1)C#N)C

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.224g/mol

Monoisotopic Mass:

211.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1