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332419-75-7 | 5-Bromo-2-(4-nitrophenyl)-7-azabenzimidazole
CAS No: 332419-75-7 Catalog No: AG01FARR MDL No:MFCD26396297
Product Description
Catalog Number:
AG01FARR
Chemical Name:
5-Bromo-2-(4-nitrophenyl)-7-azabenzimidazole
CAS Number:
332419-75-7
Molecular Formula:
C12H7BrN4O2
Molecular Weight:
319.1136
MDL Number:
MFCD26396297
IUPAC Name:
6-bromo-2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C12H7BrN4O2/c13-8-5-10-12(14-6-8)16-11(15-10)7-1-3-9(4-2-7)17(18)19/h1-6H,(H,14,15,16)
InChI Key:
MHFSRMPSKPLZSA-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)nc([nH]2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.975g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.118g/mol
Monoisotopic Mass:
317.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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