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176549-83-0 | Benzo[b]thiophene-2-carboxylic acid, 4-iodo-
CAS No: 176549-83-0 Catalog No: AG0024QS MDL No:MFCD07371548
Product Description
Catalog Number:
AG0024QS
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 4-iodo-
CAS Number:
176549-83-0
Molecular Formula:
C9H5IO2S
Molecular Weight:
304.1043
MDL Number:
MFCD07371548
IUPAC Name:
4-iodo-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H5IO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key:
WXCFASJVNZNLJL-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1)c(I)ccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.905g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.101g/mol
Monoisotopic Mass:
303.905g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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