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28611-73-6 | Sulfonium, [(2-hydroxy-5-nitrophenyl)methyl]dimethyl-, bromide (1:1)
CAS No: 28611-73-6 Catalog No: AG002VUS MDL No:
Product Description
Catalog Number:
AG002VUS
Chemical Name:
Sulfonium, [(2-hydroxy-5-nitrophenyl)methyl]dimethyl-, bromide (1:1)
CAS Number:
28611-73-6
Molecular Formula:
C9H12BrNO3S
Molecular Weight:
294.1655
IUPAC Name:
(2-hydroxy-5-nitrophenyl)methyl-dimethylsulfanium;bromide
InChI:
InChI=1S/C9H11NO3S.BrH/c1-14(2)6-7-5-8(10(12)13)3-4-9(7)11;/h3-5H,6H2,1-2H3;1H
InChI Key:
VEGVMTIJKACZGO-UHFFFAOYSA-N
SMILES:
C[S+](Cc1cc(ccc1O)[N+](=O)[O-])C.[Br-]
EC Number:
249-105-5
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.972g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.163g/mol
Monoisotopic Mass:
292.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Multiple inhibitor analysis of the brequinar and leflunomide binding sites on human dihydroorotate dehydrogenase. | Biochemistry 20010220 |
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