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Home > Nitro Compounds > 219620-22-1
219620-22-1 | 5-nitro-2-(1H-pyrrol-1-yl)-1,3-thiazole
CAS No: 219620-22-1 Catalog No: AG00IRW5 MDL No:MFCD00117241
Product Description
Catalog Number:
AG00IRW5
Chemical Name:
5-nitro-2-(1H-pyrrol-1-yl)-1,3-thiazole
CAS Number:
219620-22-1
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
MDL Number:
MFCD00117241
IUPAC Name:
5-nitro-2-pyrrol-1-yl-1,3-thiazole
InChI:
InChI=1S/C7H5N3O2S/c11-10(12)6-5-8-7(13-6)9-3-1-2-4-9/h1-5H
InChI Key:
FBBKAZWKRCHADI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(s1)n1cccc1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.196g/mol
Monoisotopic Mass:
195.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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