Name: Name:METHYL 5-[(3-CHLOROPHENYL)METHYL]-1,3,4-OXADIAZOLE-2-CARBOXYLATE
Brand: Angene
SKU: AG01EIGQ
Rating: 90 (10 reviews)

METHYL 5-[(3-CHLOROPHENYL)METHYL]-1,3,4-OXADIAZOLE-2-CARBOXYLATE

CAS No.:

1708008-24-5

Catalog Number:

AG01EIGQ

Molecular Formula:

C11H9ClN2O3

Molecular Weight:

252.6538

Catalog Number:

AG01EIGQ

Chemical Name:

METHYL 5-[(3-CHLOROPHENYL)METHYL]-1,3,4-OXADIAZOLE-2-CARBOXYLATE

CAS Number:

1708008-24-5

Molecular Formula:

C11H9ClN2O3

Molecular Weight:

252.6538

MDL Number:

MFCD25342020

IUPAC Name:

methyl 5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxylate

InChI:

InChI=1S/C11H9ClN2O3/c1-16-11(15)10-14-13-9(17-10)6-7-3-2-4-8(12)5-7/h2-5H,6H2,1H3

InChI Key:

ZFJJXBCGFSLGEQ-UHFFFAOYSA-N

SMILES:

COC(=O)c1nnc(o1)Cc1cccc(c1)Cl

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.654g/mol

Monoisotopic Mass:

252.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5