Name: Name:1,2,4-Oxadiazole, 3-(chloromethyl)-5-(3,5-dimethyl-4-isoxazolyl)-
Brand: Angene
SKU: AG0020NY
Rating: 90 (10 reviews)

1,2,4-Oxadiazole, 3-(chloromethyl)-5-(3,5-dimethyl-4-isoxazolyl)-

CAS No.:

175205-42-2

Catalog Number:

AG0020NY

Molecular Formula:

C8H8ClN3O2

Molecular Weight:

213.6210

Catalog Number:

AG0020NY

Chemical Name:

1,2,4-Oxadiazole, 3-(chloromethyl)-5-(3,5-dimethyl-4-isoxazolyl)-

CAS Number:

175205-42-2

Molecular Formula:

C8H8ClN3O2

Molecular Weight:

213.6210

MDL Number:

MFCD00052098

IUPAC Name:

3-(chloromethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole

InChI:

InChI=1S/C8H8ClN3O2/c1-4-7(5(2)13-11-4)8-10-6(3-9)12-14-8/h3H2,1-2H3

InChI Key:

UBNGKQCKUVRCGR-UHFFFAOYSA-N

SMILES:

ClCc1noc(n1)c1c(C)noc1C

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.621g/mol

Monoisotopic Mass:

213.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5