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Home > Nitro Compounds > 1249109-66-7
1249109-66-7 | 1-[(2-nitrophenyl)sulfanyl]butan-2-one
CAS No: 1249109-66-7 Catalog No: AG01A39Y MDL No:MFCD16167319
Product Description
Catalog Number:
AG01A39Y
Chemical Name:
1-[(2-nitrophenyl)sulfanyl]butan-2-one
CAS Number:
1249109-66-7
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
MDL Number:
MFCD16167319
IUPAC Name:
1-(2-nitrophenyl)sulfanylbutan-2-one
InChI:
InChI=1S/C10H11NO3S/c1-2-8(12)7-15-10-6-4-3-5-9(10)11(13)14/h3-6H,2,7H2,1H3
InChI Key:
BHAQSZZVPXHYPI-UHFFFAOYSA-N
SMILES:
CCC(=O)CSc1ccccc1[N+](=O)[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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