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114774-06-0 | Ethanone, 1-(5-nitro-2-thienyl)-, O-methyloxime
CAS No: 114774-06-0 Catalog No: AG000F6R MDL No:
Product Description
Catalog Number:
AG000F6R
Chemical Name:
Ethanone, 1-(5-nitro-2-thienyl)-, O-methyloxime
CAS Number:
114774-06-0
Molecular Formula:
C7H8N2O3S
Molecular Weight:
200.2150
IUPAC Name:
(E)-N-methoxy-1-(5-nitrothiophen-2-yl)ethanimine
InChI:
InChI=1S/C7H8N2O3S/c1-5(8-12-2)6-3-4-7(13-6)9(10)11/h3-4H,1-2H3/b8-5+
InChI Key:
RBEVERZOQIGERD-VMPITWQZSA-N
SMILES:
[O-][N+](=O)c1ccc(s1)C(=NOC)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
200.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.212g/mol
Monoisotopic Mass:
200.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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