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78071-33-7 | 3-Thiophenecarboxylic acid, 4-iodo-
CAS No: 78071-33-7 Catalog No: AG0055F9 MDL No:
Product Description
Catalog Number:
AG0055F9
Chemical Name:
3-Thiophenecarboxylic acid, 4-iodo-
CAS Number:
78071-33-7
Molecular Formula:
C5H3IO2S
Molecular Weight:
254.0456
IUPAC Name:
4-iodothiophene-3-carboxylic acid
InChI:
InChI=1S/C5H3IO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H,7,8)
InChI Key:
CFEILZOMIXWPFI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cscc1I
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.89g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.041g/mol
Monoisotopic Mass:
253.89g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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