Name: Name:5-Formyl-2-(4-methyl-1H-imidazol-1-yl)benzonitrile
Brand: Angene
SKU: AG000DNL
Rating: 90 (10 reviews)

5-Formyl-2-(4-methyl-1H-imidazol-1-yl)benzonitrile

CAS No.:

1170735-10-0

Catalog Number:

AG000DNL

Molecular Formula:

C12H9N3O

Molecular Weight:

211.2194

Catalog Number:

AG000DNL

Chemical Name:

5-Formyl-2-(4-methyl-1H-imidazol-1-yl)benzonitrile

CAS Number:

1170735-10-0

Molecular Formula:

C12H9N3O

Molecular Weight:

211.2194

MDL Number:

MFCD13180644

IUPAC Name:

5-formyl-2-(4-methylimidazol-1-yl)benzonitrile

InChI:

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

InChI Key:

RGOUIBRUJROZIW-UHFFFAOYSA-N

SMILES:

N#Cc1cc(C=O)ccc1n1cnc(c1)C

Complexity:

309

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:

1.3