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Home > Nitro Compounds > 139092-85-6
139092-85-6 | 2-Pyrrolidinecarbonyl chloride, 1-[(3-nitrophenyl)sulfonyl]-, (2S)-
CAS No: 139092-85-6 Catalog No: AG001A8Z MDL No:
Product Description
Catalog Number:
AG001A8Z
Chemical Name:
2-Pyrrolidinecarbonyl chloride, 1-[(3-nitrophenyl)sulfonyl]-, (2S)-
CAS Number:
139092-85-6
Molecular Formula:
C11H11ClN2O5S
Molecular Weight:
318.7334
IUPAC Name:
1-(3-nitrophenyl)sulfonylpyrrolidine-2-carbonyl chloride
InChI:
InChI=1S/C11H11ClN2O5S/c12-11(15)10-5-2-6-13(10)20(18,19)9-4-1-3-8(7-9)14(16)17/h1,3-4,7,10H,2,5-6H2
InChI Key:
DVHDILIASRJOFY-UHFFFAOYSA-N
SMILES:
ClC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.008g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.728g/mol
Monoisotopic Mass:
318.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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