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89114-64-7 | 2-Thiophenecarboxaldehyde, 5-(4-nitrophenyl)-, oxime
CAS No: 89114-64-7 Catalog No: AG003YZU MDL No:
Product Description
Catalog Number:
AG003YZU
Chemical Name:
2-Thiophenecarboxaldehyde, 5-(4-nitrophenyl)-, oxime
CAS Number:
89114-64-7
Molecular Formula:
C11H8N2O3S
Molecular Weight:
248.2578
IUPAC Name:
N-[[5-(4-nitrophenyl)thiophen-2-yl]methylidene]hydroxylamine
InChI:
InChI=1S/C11H8N2O3S/c14-12-7-10-5-6-11(17-10)8-1-3-9(4-2-8)13(15)16/h1-7,14H
InChI Key:
FZQZDUZYPZLLOC-UHFFFAOYSA-N
SMILES:
ON=Cc1ccc(s1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.256g/mol
Monoisotopic Mass:
248.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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