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Home > Nitro Compounds > 16968-19-7
16968-19-7 | 1,2-Bis(2-nitrophenyl)ethane
CAS No: 16968-19-7 Catalog No: AG003FBZ MDL No:MFCD00024296
Product Description
Catalog Number:
AG003FBZ
Chemical Name:
1,2-Bis(2-nitrophenyl)ethane
CAS Number:
16968-19-7
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
MDL Number:
MFCD00024296
IUPAC Name:
1-nitro-2-[2-(2-nitrophenyl)ethyl]benzene
InChI:
InChI=1S/C14H12N2O4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2
InChI Key:
YBOZRPPSBVIHGJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1CCc1ccccc1[N+](=O)[O-]
EC Number:
241-043-7
NSC Number:
85868
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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