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206759-50-4 | 7-Bromo-5-nitro-1H-benzimidazole
CAS No: 206759-50-4 Catalog No: AG01FER8 MDL No:
Product Description
Catalog Number:
AG01FER8
Chemical Name:
7-Bromo-5-nitro-1H-benzimidazole
CAS Number:
206759-50-4
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
IUPAC Name:
4-bromo-6-nitro-1H-benzimidazole
InChI:
InChI=1S/C7H4BrN3O2/c8-5-1-4(11(12)13)2-6-7(5)10-3-9-6/h1-3H,(H,9,10)
InChI Key:
QVLQTTFTEFTUJE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c2c(c1)nc[nH]2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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