Name: Name:1,3,4-Oxadiazol-2(3H)-one, 5-(4-aminophenyl)-
Brand: Angene
SKU: AG00782X
Rating: 90 (10 reviews)

1,3,4-Oxadiazol-2(3H)-one, 5-(4-aminophenyl)-

CAS No.:

113118-47-1

Catalog Number:

AG00782X

Molecular Formula:

C8H7N3O2

Molecular Weight:

177.1601

Catalog Number:

AG00782X

Chemical Name:

1,3,4-Oxadiazol-2(3H)-one, 5-(4-aminophenyl)-

CAS Number:

113118-47-1

Molecular Formula:

C8H7N3O2

Molecular Weight:

177.1601

MDL Number:

MFCD11156799

IUPAC Name:

5-(4-aminophenyl)-3H-1,3,4-oxadiazol-2-one

InChI:

InChI=1S/C8H7N3O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,9H2,(H,11,12)

InChI Key:

XYEUOVMKEQAHOS-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)c1n[nH]c(=O)o1

NSC Number:

130846

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.163g/mol

Monoisotopic Mass:

177.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7