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159753-14-7

159753-14-7 | Thiourea, N-(2-methoxy-4-nitrophenyl)-

CAS No: 159753-14-7 Catalog No: AG001RDL MDL No:MFCD00060546

Product Description

Catalog Number:
AG001RDL
Chemical Name:
Thiourea, N-(2-methoxy-4-nitrophenyl)-
CAS Number:
159753-14-7
Molecular Formula:
C8H9N3O3S
Molecular Weight:
227.2404
MDL Number:
MFCD00060546
IUPAC Name:
(2-methoxy-5-nitrophenyl)thiourea
InChI:
InChI=1S/C8H9N3O3S/c1-14-7-3-2-5(11(12)13)4-6(7)10-8(9)15/h2-4H,1H3,(H3,9,10,15)
InChI Key:
XIOYSXKDIDOGPF-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NC(=S)N)[N+](=O)[O-]

Properties

Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.036g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.238g/mol
Monoisotopic Mass:
227.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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