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Home > Nitro Compounds > 875930-44-2
875930-44-2 | 2-METHYL-1-[(4-NITROPHENYL)SULFONYL]PYRROLIDINE
CAS No: 875930-44-2 Catalog No: AG004IKW MDL No:
Product Description
Catalog Number:
AG004IKW
Chemical Name:
2-METHYL-1-[(4-NITROPHENYL)SULFONYL]PYRROLIDINE
CAS Number:
875930-44-2
Molecular Formula:
C11H14N2O4S
Molecular Weight:
270.3049
IUPAC Name:
2-methyl-1-(4-nitrophenyl)sulfonylpyrrolidine
InChI:
InChI=1S/C11H14N2O4S/c1-9-3-2-8-12(9)18(16,17)11-6-4-10(5-7-11)13(14)15/h4-7,9H,2-3,8H2,1H3
InChI Key:
FOPRVFBVRPDFJA-UHFFFAOYSA-N
SMILES:
CC1CCCN1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
404
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:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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