Name: Name:5-Isoxazolecarboxylic acid, 3-bromo-4,5-dihydro-, ethyl ester
Brand: Angene
SKU: AG005D72
Rating: 90 (10 reviews)

5-Isoxazolecarboxylic acid, 3-bromo-4,5-dihydro-, ethyl ester

CAS No.:

823787-15-1

Catalog Number:

AG005D72

Molecular Formula:

C6H8BrNO3

Molecular Weight:

222.0366

Catalog Number:

AG005D72

Chemical Name:

5-Isoxazolecarboxylic acid, 3-bromo-4,5-dihydro-, ethyl ester

CAS Number:

823787-15-1

Molecular Formula:

C6H8BrNO3

Molecular Weight:

222.0366

MDL Number:

MFCD22690275

IUPAC Name:

ethyl 3-bromo-4,5-dihydro-1,2-oxazole-5-carboxylate

InChI:

InChI=1S/C6H8BrNO3/c1-2-10-6(9)4-3-5(7)8-11-4/h4H,2-3H2,1H3

InChI Key:

OXBIKTVOBKHIME-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1CC(=NO1)Br

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.038g/mol

Monoisotopic Mass:

220.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2