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Home > Nitro Compounds > 554405-15-1
554405-15-1 | 2-(1H-1,3-benzodiazol-2-yl)-1-(3-nitrophenyl)ethan-1-one
CAS No: 554405-15-1 Catalog No: AG019GVR MDL No:MFCD03965858
Product Description
Catalog Number:
AG019GVR
Chemical Name:
2-(1H-1,3-benzodiazol-2-yl)-1-(3-nitrophenyl)ethan-1-one
CAS Number:
554405-15-1
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
MDL Number:
MFCD03965858
IUPAC Name:
2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone
InChI:
InChI=1S/C15H11N3O3/c19-14(10-4-3-5-11(8-10)18(20)21)9-15-16-12-6-1-2-7-13(12)17-15/h1-8H,9H2,(H,16,17)
InChI Key:
KSKHWQGLBMCMKE-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Cc1nc2c([nH]1)cccc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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