Name: Name:1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(1,1-dimethylethyl)-, ethyl ester
Brand: Angene
SKU: AG000M57
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(1,1-dimethylethyl)-, ethyl ester

CAS No.:

1245272-40-5

Catalog Number:

AG000M57

Molecular Formula:

C10H15BrN2O2

Molecular Weight:

275.1423

Catalog Number:

AG000M57

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(1,1-dimethylethyl)-, ethyl ester

CAS Number:

1245272-40-5

Molecular Formula:

C10H15BrN2O2

Molecular Weight:

275.1423

MDL Number:

MFCD16767142

IUPAC Name:

ethyl 5-bromo-1-tert-butylpyrazole-4-carboxylate

InChI:

InChI=1S/C10H15BrN2O2/c1-5-15-9(14)7-6-12-13(8(7)11)10(2,3)4/h6H,5H2,1-4H3

InChI Key:

RSUGKABMEVWWKL-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1Br)C(C)(C)C

Complexity:

240

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.146g/mol

Monoisotopic Mass:

274.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4