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Home > Nitro Compounds > 27693-37-4
27693-37-4 | Methanone, (3-nitrophenyl)-2-pyridinyl-
CAS No: 27693-37-4 Catalog No: AG002UGZ MDL No:MFCD00957342
Product Description
Catalog Number:
AG002UGZ
Chemical Name:
Methanone, (3-nitrophenyl)-2-pyridinyl-
CAS Number:
27693-37-4
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
MDL Number:
MFCD00957342
IUPAC Name:
(3-nitrophenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C12H8N2O3/c15-12(11-6-1-2-7-13-11)9-4-3-5-10(8-9)14(16)17/h1-8H
InChI Key:
RJRMONLCDVCAAX-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])c1ccccn1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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