Name: Name:methyl 5-(2-cyanophenyl)-1H-pyrazole-3-carboxylate
Brand: Angene
SKU: AG01A4QF
Rating: 90 (10 reviews)

methyl 5-(2-cyanophenyl)-1H-pyrazole-3-carboxylate

CAS No.:

1035235-09-6

Catalog Number:

AG01A4QF

Molecular Formula:

C12H9N3O2

Molecular Weight:

227.2188

Catalog Number:

AG01A4QF

Chemical Name:

methyl 5-(2-cyanophenyl)-1H-pyrazole-3-carboxylate

CAS Number:

1035235-09-6

Molecular Formula:

C12H9N3O2

Molecular Weight:

227.2188

MDL Number:

MFCD23701964

IUPAC Name:

methyl 3-(2-cyanophenyl)-1H-pyrazole-5-carboxylate

InChI:

InChI=1S/C12H9N3O2/c1-17-12(16)11-6-10(14-15-11)9-5-3-2-4-8(9)7-13/h2-6H,1H3,(H,14,15)

InChI Key:

KIHGIEBTMSZERX-UHFFFAOYSA-N

SMILES:

COC(=O)c1n[nH]c(c1)c1ccccc1C#N

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.223g/mol

Monoisotopic Mass:

227.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8