Name: Name:2-methyl-5-nitro-1-(propan-2-yl)-1H-1,3-benzodiazole
Brand: Angene
SKU: AG01ANEU
Rating: 90 (10 reviews)

2-methyl-5-nitro-1-(propan-2-yl)-1H-1,3-benzodiazole

CAS No.:

92722-00-4

Catalog Number:

AG01ANEU

Molecular Formula:

C11H13N3O2

Molecular Weight:

219.2398

Catalog Number:

AG01ANEU

Chemical Name:

2-methyl-5-nitro-1-(propan-2-yl)-1H-1,3-benzodiazole

CAS Number:

92722-00-4

Molecular Formula:

C11H13N3O2

Molecular Weight:

219.2398

MDL Number:

MFCD29034252

IUPAC Name:

2-methyl-5-nitro-1-propan-2-ylbenzimidazole

InChI:

InChI=1S/C11H13N3O2/c1-7(2)13-8(3)12-10-6-9(14(15)16)4-5-11(10)13/h4-7H,1-3H3

InChI Key:

JXWCDQWCVRFCMT-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc2c(c1)nc(n2C(C)C)C

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.244g/mol

Monoisotopic Mass:

219.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4