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24982-60-3 | Benzo[b]thiophene-3-carboxylic acid, 6-nitro-, methyl ester
CAS No: 24982-60-3 Catalog No: AG002Q3C MDL No:MFCD17215644
Product Description
Catalog Number:
AG002Q3C
Chemical Name:
Benzo[b]thiophene-3-carboxylic acid, 6-nitro-, methyl ester
CAS Number:
24982-60-3
Molecular Formula:
C10H7NO4S
Molecular Weight:
237.2319
MDL Number:
MFCD17215644
IUPAC Name:
methyl 6-nitro-1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C10H7NO4S/c1-15-10(12)8-5-16-9-4-6(11(13)14)2-3-7(8)9/h2-5H,1H3
InChI Key:
NSDNRPBWMZNRFB-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.229g/mol
Monoisotopic Mass:
237.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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