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Home > Nitro Compounds > 17530-84-6
17530-84-6 | Benzene, 1-nitro-4-[(phenylsulfinyl)methyl]-
CAS No: 17530-84-6 Catalog No: AG0020WH MDL No:
Product Description
Catalog Number:
AG0020WH
Chemical Name:
Benzene, 1-nitro-4-[(phenylsulfinyl)methyl]-
CAS Number:
17530-84-6
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
IUPAC Name:
1-(benzenesulfinylmethyl)-4-nitrobenzene
InChI:
InChI=1S/C13H11NO3S/c15-14(16)12-8-6-11(7-9-12)10-18(17)13-4-2-1-3-5-13/h1-9H,10H2
InChI Key:
JUMCUNXWSXBYDI-UHFFFAOYSA-N
SMILES:
O=S(c1ccccc1)Cc1ccc(cc1)[N+](=O)[O-]
NSC Number:
122658
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.295g/mol
Monoisotopic Mass:
261.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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