Name: Name:2,1,3-Benzoxadiazole, 5-methyl-, 1-oxide
Brand: Angene
SKU: AG002FDQ
Rating: 90 (10 reviews)

2,1,3-Benzoxadiazole, 5-methyl-, 1-oxide

CAS No.:

19164-41-1

Catalog Number:

AG002FDQ

Molecular Formula:

C7H6N2O2

Molecular Weight:

150.1347

Catalog Number:

AG002FDQ

Chemical Name:

2,1,3-Benzoxadiazole, 5-methyl-, 1-oxide

CAS Number:

19164-41-1

Molecular Formula:

C7H6N2O2

Molecular Weight:

150.1347

MDL Number:

MFCD00068057

IUPAC Name:

5-methyl-1-oxido-2,1,3-benzoxadiazol-1-ium

InChI:

InChI=1S/C7H6N2O2/c1-5-2-3-7-6(4-5)8-11-9(7)10/h2-4H,1H3

InChI Key:

HCWVKDOCXDWFEH-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)no[n+]2[O-]

NSC Number:

405249

Complexity:

153

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

150.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

150.137g/mol

Monoisotopic Mass:

150.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8