Name: Name:methyl 3-bromo-1-(oxan-2-yl)-1H-pyrazole-4-carboxylate
Brand: Angene
SKU: AG00IKZ3
Rating: 90 (10 reviews)

methyl 3-bromo-1-(oxan-2-yl)-1H-pyrazole-4-carboxylate

CAS No.:

2102411-98-1

Catalog Number:

AG00IKZ3

Molecular Formula:

C10H13BrN2O3

Molecular Weight:

289.1258

Catalog Number:

AG00IKZ3

Chemical Name:

methyl 3-bromo-1-(oxan-2-yl)-1H-pyrazole-4-carboxylate

CAS Number:

2102411-98-1

Molecular Formula:

C10H13BrN2O3

Molecular Weight:

289.1258

MDL Number:

MFCD30719383

IUPAC Name:

methyl 3-bromo-1-(oxan-2-yl)pyrazole-4-carboxylate

InChI:

InChI=1S/C10H13BrN2O3/c1-15-10(14)7-6-13(12-9(7)11)8-4-2-3-5-16-8/h6,8H,2-5H2,1H3

InChI Key:

JWCAMSXXFFTJGP-UHFFFAOYSA-N

SMILES:

COC(=O)c1cn(nc1Br)C1CCCCO1

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.011g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.129g/mol

Monoisotopic Mass:

288.011g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9