Name: Name:4-bromo-5-{3,7-dioxabicyclo[4.1.0]heptan-6-yl}-1-methyl-1H-pyrazole
Brand: Angene
SKU: AG01BUZR
Rating: 90 (10 reviews)

4-bromo-5-{3,7-dioxabicyclo[4.1.0]heptan-6-yl}-1-methyl-1H-pyrazole

CAS No.:

2031259-35-3

Catalog Number:

AG01BUZR

Molecular Formula:

C9H11BrN2O2

Molecular Weight:

259.0998

Catalog Number:

AG01BUZR

Chemical Name:

4-bromo-5-{3,7-dioxabicyclo[4.1.0]heptan-6-yl}-1-methyl-1H-pyrazole

CAS Number:

2031259-35-3

Molecular Formula:

C9H11BrN2O2

Molecular Weight:

259.0998

MDL Number:

MFCD30345329

IUPAC Name:

4-bromo-5-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)-1-methylpyrazole

InChI:

InChI=1S/C9H11BrN2O2/c1-12-8(6(10)4-11-12)9-2-3-13-5-7(9)14-9/h4,7H,2-3,5H2,1H3

InChI Key:

ZXSDPHLCAMFTKX-UHFFFAOYSA-N

SMILES:

Brc1cnn(c1C12CCOCC2O1)C

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.103g/mol

Monoisotopic Mass:

258g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3