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Home > Nitro Compounds > 154825-26-0
154825-26-0 | N-(2-Furylmethyl)-n'-(4-nitrophenyl)urea
CAS No: 154825-26-0 Catalog No: AG00HYA4 MDL No:MFCD00020953
Product Description
Catalog Number:
AG00HYA4
Chemical Name:
N-(2-Furylmethyl)-n'-(4-nitrophenyl)urea
CAS Number:
154825-26-0
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
MDL Number:
MFCD00020953
IUPAC Name:
1-(furan-2-ylmethyl)-3-(4-nitrophenyl)urea
InChI:
InChI=1S/C12H11N3O4/c16-12(13-8-11-2-1-7-19-11)14-9-3-5-10(6-4-9)15(17)18/h1-7H,8H2,(H2,13,14,16)
InChI Key:
NVNKQKPUEKQJRM-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])NCc1ccco1
NSC Number:
45086
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.237g/mol
Monoisotopic Mass:
261.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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