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Home > Nitro Compounds > 923248-96-8
923248-96-8 | 1-[2-nitro-5-(thiomorpholin-4-yl)phenyl]ethan-1-one
CAS No: 923248-96-8 Catalog No: AG00IWCK MDL No:MFCD08064699
Product Description
Catalog Number:
AG00IWCK
Chemical Name:
1-[2-nitro-5-(thiomorpholin-4-yl)phenyl]ethan-1-one
CAS Number:
923248-96-8
Molecular Formula:
C12H14N2O3S
Molecular Weight:
266.3162
MDL Number:
MFCD08064699
IUPAC Name:
1-(2-nitro-5-thiomorpholin-4-ylphenyl)ethanone
InChI:
InChI=1S/C12H14N2O3S/c1-9(15)11-8-10(2-3-12(11)14(16)17)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3
InChI Key:
QIOAWCFTQFHYIX-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(ccc1[N+](=O)[O-])N1CCSCC1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.315g/mol
Monoisotopic Mass:
266.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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