Name: Name:ethyl 5-bromo-1-(propan-2-yl)-1H-pyrazole-4-carboxylate
Brand: Angene
SKU: AG00HUYS
Rating: 90 (10 reviews)

ethyl 5-bromo-1-(propan-2-yl)-1H-pyrazole-4-carboxylate

CAS No.:

1374257-90-5

Catalog Number:

AG00HUYS

Molecular Formula:

C9H13BrN2O2

Molecular Weight:

261.1157

Catalog Number:

AG00HUYS

Chemical Name:

ethyl 5-bromo-1-(propan-2-yl)-1H-pyrazole-4-carboxylate

CAS Number:

1374257-90-5

Molecular Formula:

C9H13BrN2O2

Molecular Weight:

261.1157

MDL Number:

MFCD25542291

IUPAC Name:

ethyl 5-bromo-1-propan-2-ylpyrazole-4-carboxylate

InChI:

InChI=1S/C9H13BrN2O2/c1-4-14-9(13)7-5-11-12(6(2)3)8(7)10/h5-6H,4H2,1-3H3

InChI Key:

XBFFWXCMGUSKSU-UHFFFAOYSA-N

SMILES:

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

Complexity:

211

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.016g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.119g/mol

Monoisotopic Mass:

260.016g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2