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Home > Nitro Compounds > 88867-99-6
88867-99-6 | 2-Pyrrolidinecarbonyl chloride, 1-[(4-nitrophenyl)sulfonyl]-, (S)-
CAS No: 88867-99-6 Catalog No: AG004AOC MDL No:
Product Description
Catalog Number:
AG004AOC
Chemical Name:
2-Pyrrolidinecarbonyl chloride, 1-[(4-nitrophenyl)sulfonyl]-, (S)-
CAS Number:
88867-99-6
Molecular Formula:
C11H11ClN2O5S
Molecular Weight:
318.7334
IUPAC Name:
(2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl chloride
InChI:
InChI=1S/C11H11ClN2O5S/c12-11(15)10-2-1-7-13(10)20(18,19)9-5-3-8(4-6-9)14(16)17/h3-6,10H,1-2,7H2/t10-/m0/s1
InChI Key:
GKKQPDBFJZQADI-JTQLQIEISA-N
SMILES:
ClC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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