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Home > Nitro Compounds > 832127-73-8
832127-73-8 | Thiophene, 2-nitro-5-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
CAS No: 832127-73-8 Catalog No: AG004Z4B MDL No:
Product Description
Catalog Number:
AG004Z4B
Chemical Name:
Thiophene, 2-nitro-5-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
CAS Number:
832127-73-8
Molecular Formula:
C15H15NO5S
Molecular Weight:
321.3483
IUPAC Name:
2-nitro-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene
InChI:
InChI=1S/C15H15NO5S/c1-19-12-8-10(9-13(20-2)15(12)21-3)4-5-11-6-7-14(22-11)16(17)18/h4-9H,1-3H3
InChI Key:
IYOIVVCSAIYMOY-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/c2ccc(s2)[N+](=O)[O-])cc(c1OC)OC
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.347g/mol
Monoisotopic Mass:
321.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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