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114675-88-6 | Acetic acid, 2-[[(2-nitrophenyl)thio]imino]-, methyl ester, (2E)-
CAS No: 114675-88-6 Catalog No: AG000F02 MDL No:
Product Description
Catalog Number:
AG000F02
Chemical Name:
Acetic acid, 2-[[(2-nitrophenyl)thio]imino]-, methyl ester, (2E)-
CAS Number:
114675-88-6
Molecular Formula:
C9H8N2O4S
Molecular Weight:
240.2358
IUPAC Name:
methyl 2-(2-nitrophenyl)sulfanyliminoacetate
InChI:
InChI=1S/C9H8N2O4S/c1-15-9(12)6-10-16-8-5-3-2-4-7(8)11(13)14/h2-6H,1H3
InChI Key:
DUSBKQCJKYUQQL-UHFFFAOYSA-N
SMILES:
COC(=O)/C=N/Sc1ccccc1[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.233g/mol
Monoisotopic Mass:
240.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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