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Home > Nitro Compounds > 692278-76-5
692278-76-5 | (2Z)-2-[(4-methoxy-2-nitrophenyl)imino]-1,3-thiazolidin-4-one
CAS No: 692278-76-5 Catalog No: AG00JF12 MDL No:MFCD03722135
Product Description
Catalog Number:
AG00JF12
Chemical Name:
(2Z)-2-[(4-methoxy-2-nitrophenyl)imino]-1,3-thiazolidin-4-one
CAS Number:
692278-76-5
Molecular Formula:
C10H9N3O4S
Molecular Weight:
267.2612
MDL Number:
MFCD03722135
IUPAC Name:
2-(4-methoxy-2-nitrophenyl)imino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H9N3O4S/c1-17-6-2-3-7(8(4-6)13(15)16)11-10-12-9(14)5-18-10/h2-4H,5H2,1H3,(H,11,12,14)
InChI Key:
IARFQDBDCIVICB-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])/N=C/1\SCC(=O)N1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.259g/mol
Monoisotopic Mass:
267.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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