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Home > Imidazoles > 74443-11-1
74443-11-1 | Phenol, 2-[2-(5-nitro-1H-benzimidazol-2-yl)ethenyl]-
CAS No: 74443-11-1 Catalog No: AG005XUA MDL No:
Product Description
Catalog Number:
AG005XUA
Chemical Name:
Phenol, 2-[2-(5-nitro-1H-benzimidazol-2-yl)ethenyl]-
CAS Number:
74443-11-1
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
IUPAC Name:
2-[2-(6-nitro-1H-benzimidazol-2-yl)ethenyl]phenol
InChI:
InChI=1S/C15H11N3O3/c19-14-4-2-1-3-10(14)5-8-15-16-12-7-6-11(18(20)21)9-13(12)17-15/h1-9,19H,(H,16,17)
InChI Key:
RXLFZWWDUUAEMG-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C=Cc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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