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Home > Nitro Compounds > 22057-28-9
22057-28-9 | 1-[(2-nitrophenyl)sulfanyl]propan-2-one
CAS No: 22057-28-9 Catalog No: AG01A3L8 MDL No:MFCD00024252
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
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