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Home > Nitro Compounds > 722464-31-5
722464-31-5 | 2-nitro-4-(pyrrolidine-1-sulfonyl)phenol
CAS No: 722464-31-5 Catalog No: AG019HTT MDL No:MFCD03956512
Product Description
Catalog Number:
AG019HTT
Chemical Name:
2-nitro-4-(pyrrolidine-1-sulfonyl)phenol
CAS Number:
722464-31-5
Molecular Formula:
C10H12N2O5S
Molecular Weight:
272.2777
MDL Number:
MFCD03956512
IUPAC Name:
2-nitro-4-pyrrolidin-1-ylsulfonylphenol
InChI:
InChI=1S/C10H12N2O5S/c13-10-4-3-8(7-9(10)12(14)15)18(16,17)11-5-1-2-6-11/h3-4,7,13H,1-2,5-6H2
InChI Key:
DOTJUZDQFHQQQX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1O)S(=O)(=O)N1CCCC1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.275g/mol
Monoisotopic Mass:
272.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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