Home Carboxys Benzo[b]thiophene-2-carboxylic acid, 7-nitro-, methyl ester

Benzo[b]thiophene-2-carboxylic acid, 7-nitro-, methyl ester

CAS No.:
34084-89-4
Catalog Number:
AG00I6QF
Molecular Formula:
C10H7NO4S
Molecular Weight:
237.2319
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Product Description
Catalog Number:
AG00I6QF
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 7-nitro-, methyl ester
CAS Number:
34084-89-4
Molecular Formula:
C10H7NO4S
Molecular Weight:
237.2319
MDL Number:
MFCD13180959
IUPAC Name:
methyl 7-nitro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H7NO4S/c1-15-10(12)8-5-6-3-2-4-7(11(13)14)9(6)16-8/h2-5H,1H3
InChI Key:
RJUVQMBNXODKGH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(s1)c(ccc2)[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:
3  
Properties