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Home > Nitro Compounds > 864685-23-4
864685-23-4 | Pyrrolidine,1-[[(3-nitrophenyl)methyl]sulfonyl]-
CAS No: 864685-23-4 Catalog No: AG004WI5 MDL No:
Product Description
Catalog Number:
AG004WI5
Chemical Name:
Pyrrolidine,1-[[(3-nitrophenyl)methyl]sulfonyl]-
CAS Number:
864685-23-4
Molecular Formula:
C11H14N2O4S
Molecular Weight:
270.3049
IUPAC Name:
1-[(3-nitrophenyl)methylsulfonyl]pyrrolidine
InChI:
InChI=1S/C11H14N2O4S/c14-13(15)11-5-3-4-10(8-11)9-18(16,17)12-6-1-2-7-12/h3-5,8H,1-2,6-7,9H2
InChI Key:
XRCGXTVCSRFBJW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CS(=O)(=O)N1CCCC1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.303g/mol
Monoisotopic Mass:
270.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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