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21272-85-5 | Nitromethyl phenyl sulfone
CAS No: 21272-85-5 Catalog No: AG003T59 MDL No:MFCD00015928
Product Description
Catalog Number:
AG003T59
Chemical Name:
Nitromethyl phenyl sulfone
CAS Number:
21272-85-5
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
MDL Number:
MFCD00015928
IUPAC Name:
nitromethylsulfonylbenzene
InChI:
InChI=1S/C7H7NO4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
ADKLJTCVZHUANG-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)C[N+](=O)[O-]
EC Number:
244-308-5
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.196g/mol
Monoisotopic Mass:
201.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Enantioselective synthesis of α-stereogenic γ-keto esters via formal umpolung. | Organic letters 20120706 |
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