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160324-44-7 | 2-Propenenitrile, 3-(4-aminophenyl)-2-(methylsulfonyl)-
CAS No: 160324-44-7 Catalog No: AG001RUN MDL No:
Product Description
Catalog Number:
AG001RUN
Chemical Name:
2-Propenenitrile, 3-(4-aminophenyl)-2-(methylsulfonyl)-
CAS Number:
160324-44-7
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
IUPAC Name:
3-(4-aminophenyl)-2-methylsulfonylprop-2-enenitrile
InChI:
InChI=1S/C10H10N2O2S/c1-15(13,14)10(7-11)6-8-2-4-9(12)5-3-8/h2-6H,12H2,1H3
InChI Key:
REWWQAPBAGVBFN-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)N)S(=O)(=O)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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