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Home > Nitro Compounds > 89303-23-1
89303-23-1 | Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]-
CAS No: 89303-23-1 Catalog No: AG003YN2 MDL No:MFCD00114692
Product Description
Catalog Number:
AG003YN2
Chemical Name:
Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]-
CAS Number:
89303-23-1
Molecular Formula:
C14H11NO6S
Molecular Weight:
321.3052
MDL Number:
MFCD00114692
IUPAC Name:
3-(benzenesulfonylmethyl)-4-nitrobenzoic acid
InChI:
InChI=1S/C14H11NO6S/c16-14(17)10-6-7-13(15(18)19)11(8-10)9-22(20,21)12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17)
InChI Key:
YREOCTGUKHNUDQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)CS(=O)(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.031g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.303g/mol
Monoisotopic Mass:
321.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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