Name: Name:1-[2-(4-chlorophenyl)ethyl]-5-nitro-1H-1,3-benzodiazole
Brand: Angene
SKU: AG01BH19
Rating: 90 (10 reviews)

1-[2-(4-chlorophenyl)ethyl]-5-nitro-1H-1,3-benzodiazole

CAS No.:

1803599-68-9

Catalog Number:

AG01BH19

Molecular Formula:

C15H12ClN3O2

Molecular Weight:

301.7277

Catalog Number:

AG01BH19

Chemical Name:

1-[2-(4-chlorophenyl)ethyl]-5-nitro-1H-1,3-benzodiazole

CAS Number:

1803599-68-9

Molecular Formula:

C15H12ClN3O2

Molecular Weight:

301.7277

MDL Number:

MFCD28139475

IUPAC Name:

1-[2-(4-chlorophenyl)ethyl]-5-nitrobenzimidazole

InChI:

InChI=1S/C15H12ClN3O2/c16-12-3-1-11(2-4-12)7-8-18-10-17-14-9-13(19(20)21)5-6-15(14)18/h1-6,9-10H,7-8H2

InChI Key:

ALTUZMRLYYTGKB-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)CCn1cnc2c1ccc(c2)[N+](=O)[O-]

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.73g/mol

Monoisotopic Mass:

301.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8