Home Carboxys Benzo[b]thiophene-2-carboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-

Benzo[b]thiophene-2-carboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-

CAS No.:
292068-77-0
Catalog Number:
AG002XOL
Molecular Formula:
C14H15NO4S
Molecular Weight:
293.3382
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Product Description
Catalog Number:
AG002XOL
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
292068-77-0
Molecular Formula:
C14H15NO4S
Molecular Weight:
293.3382
MDL Number:
MFCD07368330
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C14H15NO4S/c1-14(2,3)19-13(18)15-9-4-5-10-8(6-9)7-11(20-10)12(16)17/h4-7H,1-3H3,(H,15,18)(H,16,17)
InChI Key:
GLLFQKVJBXZJON-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc2c(c1)cc(s2)C(=O)O
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.072g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
293.337g/mol
Monoisotopic Mass:
293.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties