Name: Name:1H-Pyrazole-1-carboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethylester
Brand: Angene
SKU: AG01AAU5
Rating: 90 (10 reviews)

1H-Pyrazole-1-carboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethylester

CAS No.:

530144-72-0

Catalog Number:

AG01AAU5

Molecular Formula:

C9H13BrN2O2

Molecular Weight:

261.1157

Catalog Number:

AG01AAU5

Chemical Name:

1H-Pyrazole-1-carboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethylester

CAS Number:

530144-72-0

Molecular Formula:

C9H13BrN2O2

Molecular Weight:

261.1157

MDL Number:

MFCD18837735

IUPAC Name:

tert-butyl 4-(bromomethyl)pyrazole-1-carboxylate

InChI:

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

InChI Key:

TVZQQCAMWMLAKR-UHFFFAOYSA-N

SMILES:

BrCc1cnn(c1)C(=O)OC(C)(C)C

Complexity:

215

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:

2.1