Name: Name:1H-Pyrazole-1-propanoic acid, 4-bromo-α-methyl-, methyl ester
Brand: Angene
SKU: AG0002C6
Rating: 90 (10 reviews)

1H-Pyrazole-1-propanoic acid, 4-bromo-α-methyl-, methyl ester

CAS No.:

1005615-47-3

Catalog Number:

AG0002C6

Molecular Formula:

C8H11BrN2O2

Molecular Weight:

247.0891

Catalog Number:

AG0002C6

Chemical Name:

1H-Pyrazole-1-propanoic acid, 4-bromo-α-methyl-, methyl ester

CAS Number:

1005615-47-3

Molecular Formula:

C8H11BrN2O2

Molecular Weight:

247.0891

MDL Number:

MFCD04967354

IUPAC Name:

methyl 3-(4-bromopyrazol-1-yl)-2-methylpropanoate

InChI:

InChI=1S/C8H11BrN2O2/c1-6(8(12)13-2)4-11-5-7(9)3-10-11/h3,5-6H,4H2,1-2H3

InChI Key:

DPUDEVDDEIUTCA-UHFFFAOYSA-N

SMILES:

CC(C(=O)OC)Cn1cc(cn1)Br

Complexity:

189

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.092g/mol

Monoisotopic Mass:

246g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3