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Home > Nitro Compounds > 26697-35-8
26697-35-8 | 4-Benzyloxy-2-nitroaniline
CAS No: 26697-35-8 Catalog No: AG003KT7 MDL No:MFCD00024263
Product Description
Catalog Number:
AG003KT7
Chemical Name:
4-Benzyloxy-2-nitroaniline
CAS Number:
26697-35-8
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD00024263
IUPAC Name:
2-nitro-4-phenylmethoxyaniline
InChI:
InChI=1S/C13H12N2O3/c14-12-7-6-11(8-13(12)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9,14H2
InChI Key:
JGVXQZRIRQLMHA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(OCc2ccccc2)ccc1N
NSC Number:
93775
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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