Name: Name:5-(1-chloroethyl)-3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
Brand: Angene
SKU: AG019SGW
Rating: 90 (10 reviews)

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

CAS No.:

1038358-79-0

Catalog Number:

AG019SGW

Molecular Formula:

C6H6ClN5O

Molecular Weight:

199.5977

Catalog Number:

AG019SGW

Chemical Name:

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

CAS Number:

1038358-79-0

Molecular Formula:

C6H6ClN5O

Molecular Weight:

199.5977

MDL Number:

MFCD11203766

IUPAC Name:

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

InChI:

InChI=1S/C6H6ClN5O/c1-3(7)6-10-5(12-13-6)4-8-2-9-11-4/h2-3H,1H3,(H,8,9,11)

InChI Key:

OXXDLZHCKFTFQU-UHFFFAOYSA-N

SMILES:

CC(c1onc(n1)c1nnc[nH]1)Cl

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.598g/mol

Monoisotopic Mass:

199.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7