Name: Name:2H-Benzimidazole, 2,2-dimethyl-5-nitro-, hydrate (1:3)
Brand: Angene
SKU: AG0030VF
Rating: 90 (10 reviews)

2H-Benzimidazole, 2,2-dimethyl-5-nitro-, hydrate (1:3)

CAS No.:

306935-58-0

Catalog Number:

AG0030VF

Molecular Formula:

C9H15N3O5

Molecular Weight:

245.2325

Catalog Number:

AG0030VF

Chemical Name:

2H-Benzimidazole, 2,2-dimethyl-5-nitro-, hydrate (1:3)

CAS Number:

306935-58-0

Molecular Formula:

C9H15N3O5

Molecular Weight:

245.2325

MDL Number:

MFCD02180643

IUPAC Name:

2,2-dimethyl-5-nitrobenzimidazole;trihydrate

InChI:

InChI=1S/C9H9N3O2.3H2O/c1-9(2)10-7-4-3-6(12(13)14)5-8(7)11-9;;;/h3-5H,1-2H3;3*1H2

InChI Key:

GWTXTYBTWNOIIJ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc2=NC(N=c2c1)(C)C.O.O.O

Complexity:

422

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.235g/mol

Monoisotopic Mass:

245.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: