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146137-85-1 | Benzo[b]thiophene-2-carboxylic acid, 4-iodo-, methyl ester
CAS No: 146137-85-1 Catalog No: AG001DPX MDL No:MFCD07371549
Product Description
Catalog Number:
AG001DPX
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 4-iodo-, methyl ester
CAS Number:
146137-85-1
Molecular Formula:
C10H7IO2S
Molecular Weight:
318.1309
MDL Number:
MFCD07371549
IUPAC Name:
methyl 4-iodo-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H7IO2S/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5H,1H3
InChI Key:
UGNPKTSBZTYSKG-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1)c(I)ccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.921g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.128g/mol
Monoisotopic Mass:
317.921g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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