Home Nitros 1-[(2-nitrophenyl)sulfanyl]propan-2-one

1-[(2-nitrophenyl)sulfanyl]propan-2-one

CAS No.:
22057-28-9
Catalog Number:
AG01A3L8
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
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Product Description
Catalog Number:
AG01A3L8
Chemical Name:
1-[(2-nitrophenyl)sulfanyl]propan-2-one
CAS Number:
22057-28-9
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
MDL Number:
MFCD00024252
IUPAC Name:
1-(2-nitrophenyl)sulfanylpropan-2-one
InChI:
InChI=1S/C9H9NO3S/c1-7(11)6-14-9-5-3-2-4-8(9)10(12)13/h2-5H,6H2,1H3
InChI Key:
AGNNBHMFRWKZDG-UHFFFAOYSA-N
SMILES:
CC(=O)CSc1ccccc1[N+](=O)[O-]
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties