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Home > Nitro Compounds > 66625-40-9
66625-40-9 | (2Z)-2-[(4-nitrophenyl)imino]-1,3-thiazolidin-4-one
CAS No: 66625-40-9 Catalog No: AG00JF14 MDL No:MFCD03994731
Product Description
Catalog Number:
AG00JF14
Chemical Name:
(2Z)-2-[(4-nitrophenyl)imino]-1,3-thiazolidin-4-one
CAS Number:
66625-40-9
Molecular Formula:
C9H7N3O3S
Molecular Weight:
237.2352
MDL Number:
MFCD03994731
IUPAC Name:
2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H7N3O3S/c13-8-5-16-9(11-8)10-6-1-3-7(4-2-6)12(14)15/h1-4H,5H2,(H,10,11,13)
InChI Key:
JYLJFZSISBAXEA-UHFFFAOYSA-N
SMILES:
O=C1CS/C(=N\c2ccc(cc2)[N+](=O)[O-])/N1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.233g/mol
Monoisotopic Mass:
237.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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