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Home > Nitro Compounds > 13109-99-4
13109-99-4 | 2-Pyrrolidinone, 1-(5-nitro-2-thiazolyl)-
CAS No: 13109-99-4 Catalog No: AG000VIX MDL No:
Product Description
Catalog Number:
AG000VIX
Chemical Name:
2-Pyrrolidinone, 1-(5-nitro-2-thiazolyl)-
CAS Number:
13109-99-4
Molecular Formula:
C7H7N3O3S
Molecular Weight:
213.2138
IUPAC Name:
1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-2-one
InChI:
InChI=1S/C7H7N3O3S/c11-5-2-1-3-9(5)7-8-4-6(14-7)10(12)13/h4H,1-3H2
InChI Key:
UBYUUYVSFQRSJR-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1ncc(s1)[N+](=O)[O-]
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.211g/mol
Monoisotopic Mass:
213.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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