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Home > Nitro Compounds > 1164474-29-6
1164474-29-6 | (2Z)-3-(4-methoxyphenyl)-2-(nitromethylidene)-1,3-thiazolidin-4-one
CAS No: 1164474-29-6 Catalog No: AG00IOZ2 MDL No:MFCD01935900
Product Description
Catalog Number:
AG00IOZ2
Chemical Name:
(2Z)-3-(4-methoxyphenyl)-2-(nitromethylidene)-1,3-thiazolidin-4-one
CAS Number:
1164474-29-6
Molecular Formula:
C11H10N2O4S
Molecular Weight:
266.2731
MDL Number:
MFCD01935900
IUPAC Name:
3-(4-methoxyphenyl)-2-(nitromethylidene)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H10N2O4S/c1-17-9-4-2-8(3-5-9)13-10(14)7-18-11(13)6-12(15)16/h2-6H,7H2,1H3
InChI Key:
AOIKBISFFCTHDO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1C(=O)CS/C/1=C\[N+](=O)[O-]
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.271g/mol
Monoisotopic Mass:
266.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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