Name: Name:5-(chloromethyl)-3-(1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
Brand: Angene
SKU: AG019S76
Rating: 90 (10 reviews)

5-(chloromethyl)-3-(1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole

CAS No.:

953751-07-0

Catalog Number:

AG019S76

Molecular Formula:

C5H4ClN5O

Molecular Weight:

185.5712

Catalog Number:

AG019S76

Chemical Name:

5-(chloromethyl)-3-(1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole

CAS Number:

953751-07-0

Molecular Formula:

C5H4ClN5O

Molecular Weight:

185.5712

MDL Number:

MFCD20501987

IUPAC Name:

5-(chloromethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

InChI:

InChI=1S/C5H4ClN5O/c6-1-3-9-5(11-12-3)4-7-2-8-10-4/h2H,1H2,(H,7,8,10)

InChI Key:

MDUFSXNYEUKOQE-UHFFFAOYSA-N

SMILES:

ClCc1onc(n1)c1n[nH]cn1

Complexity:

159

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.571g/mol

Monoisotopic Mass:

185.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3