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Home > Nitro Compounds > 477871-39-9
477871-39-9 | 2-(4-methylbenzenesulfonyl)-3-nitropyridine
CAS No: 477871-39-9 Catalog No: AG00IXMF MDL No:MFCD02083002
Product Description
Catalog Number:
AG00IXMF
Chemical Name:
2-(4-methylbenzenesulfonyl)-3-nitropyridine
CAS Number:
477871-39-9
Molecular Formula:
C12H10N2O4S
Molecular Weight:
278.2838
MDL Number:
MFCD02083002
IUPAC Name:
2-(4-methylphenyl)sulfonyl-3-nitropyridine
InChI:
InChI=1S/C12H10N2O4S/c1-9-4-6-10(7-5-9)19(17,18)12-11(14(15)16)3-2-8-13-12/h2-8H,1H3
InChI Key:
RQVPHAQDHVQDAD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1ncccc1[N+](=O)[O-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.282g/mol
Monoisotopic Mass:
278.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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