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Home > Nitro Compounds > 831-25-4
831-25-4 | Thiazolidine, 2-(p-nitrophenyl)-
CAS No: 831-25-4 Catalog No: AG0059O9 MDL No:MFCD00222820
Product Description
Catalog Number:
AG0059O9
Chemical Name:
Thiazolidine, 2-(p-nitrophenyl)-
CAS Number:
831-25-4
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
MDL Number:
MFCD00222820
IUPAC Name:
2-(4-nitrophenyl)-1,3-thiazolidine
InChI:
InChI=1S/C9H10N2O2S/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9/h1-4,9-10H,5-6H2
InChI Key:
FMRGPMCASSSEHQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1NCCS1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.251g/mol
Monoisotopic Mass:
210.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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