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Home > Nitro Compounds > 91619-30-6
91619-30-6 | 1-((3-Nitrophenyl)sulfonyl)pyrrolidine
CAS No: 91619-30-6 Catalog No: AG003CXO MDL No:MFCD02039471
Product Description
Catalog Number:
AG003CXO
Chemical Name:
1-((3-Nitrophenyl)sulfonyl)pyrrolidine
CAS Number:
91619-30-6
Molecular Formula:
C10H12N2O4S
Molecular Weight:
256.2783
MDL Number:
MFCD02039471
IUPAC Name:
1-(3-nitrophenyl)sulfonylpyrrolidine
InChI:
InChI=1S/C10H12N2O4S/c13-12(14)9-4-3-5-10(8-9)17(15,16)11-6-1-2-7-11/h3-5,8H,1-2,6-7H2
InChI Key:
BUOYKAGBVRMTEO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCCC1
NSC Number:
61569
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.276g/mol
Monoisotopic Mass:
256.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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