Name: Name:ETHYL 3-(4-BROMOPHENYL)-1H-PYRAZOLE-5-CARBOXYLATE
Brand: Angene
SKU: AG0067QI
Rating: 90 (10 reviews)

ETHYL 3-(4-BROMOPHENYL)-1H-PYRAZOLE-5-CARBOXYLATE

CAS No.:

948292-48-6

Catalog Number:

AG0067QI

Molecular Formula:

C12H11BrN2O2

Molecular Weight:

295.1319

Catalog Number:

AG0067QI

Chemical Name:

ETHYL 3-(4-BROMOPHENYL)-1H-PYRAZOLE-5-CARBOXYLATE

CAS Number:

948292-48-6

Molecular Formula:

C12H11BrN2O2

Molecular Weight:

295.1319

MDL Number:

MFCD08445937

IUPAC Name:

ethyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

InChI:

InChI=1S/C12H11BrN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15)

InChI Key:

VCEOMTVGHVZJDJ-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1[nH]nc(c1)c1ccc(cc1)Br

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.136g/mol

Monoisotopic Mass:

294g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1