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7605-28-9 | 2-(Phenylsulfonyl)acetonitrile
CAS No: 7605-28-9 Catalog No: AG003TQ8 MDL No:MFCD00007550
Product Description
Catalog Number:
AG003TQ8
Chemical Name:
2-(Phenylsulfonyl)acetonitrile
CAS Number:
7605-28-9
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD00007550
IUPAC Name:
2-(benzenesulfonyl)acetonitrile
InChI:
InChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2
InChI Key:
ZFCFFNGBCVAUDE-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)c1ccccc1
EC Number:
231-515-0
NSC Number:
51007
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Switchable C- and N-bound isomers of transition-metal cyanocarbanions: synthesis and interconversions of cyclopentadienyl ruthenium complexes of phenylsulfonylacetonitrile anions. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Development of versatile cis- and trans-dicarbon-substituted chiral cyclopropane units: synthesis of (1S,2R)- and (1R,2R)-2-aminomethyl-1-(1H-imidazol-4-yl)cyclopropanes and their enantiomers as conformationally restricted analogues of histamine. | The Journal of organic chemistry 20020308 |
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