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Home > Nitro Compounds > 2518-13-0
2518-13-0 | Thiazole, 4,5-dihydro-2-(4-nitrophenyl)-
CAS No: 2518-13-0 Catalog No: AG002QS1 MDL No:
Product Description
Catalog Number:
AG002QS1
Chemical Name:
Thiazole, 4,5-dihydro-2-(4-nitrophenyl)-
CAS Number:
2518-13-0
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
IUPAC Name:
2-(4-nitrophenyl)-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C9H8N2O2S/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9/h1-4H,5-6H2
InChI Key:
MJKNSOPAEQZIEG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1=NCCS1
NSC Number:
159304
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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