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Home > Nitro Compounds > 675854-56-5
675854-56-5 | 2-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazolidine
CAS No: 675854-56-5 Catalog No: AG00IQON MDL No:MFCD00238981
Product Description
Catalog Number:
AG00IQON
Chemical Name:
2-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazolidine
CAS Number:
675854-56-5
Molecular Formula:
C11H14N2O3S
Molecular Weight:
254.3055
MDL Number:
MFCD00238981
IUPAC Name:
2-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazolidine
InChI:
InChI=1S/C11H14N2O3S/c1-8-2-3-10(9(6-8)13(14)15)16-7-11-12-4-5-17-11/h2-3,6,11-12H,4-5,7H2,1H3
InChI Key:
HVXRYXDBZBPEJL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])OCC1NCCS1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.304g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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