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19075-58-2 | Benzo[b]thiophene-2-carboxylic acid, 6-bromo-
CAS No: 19075-58-2 Catalog No: AG002ERT MDL No:MFCD07371540
Product Description
Catalog Number:
AG002ERT
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 6-bromo-
CAS Number:
19075-58-2
Molecular Formula:
C9H5BrO2S
Molecular Weight:
257.1038
MDL Number:
MFCD07371540
IUPAC Name:
6-bromo-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H5BrO2S/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)
InChI Key:
CKBBSFOOIOHLPC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)sc(c2)C(=O)O
EC Number:
606-218-8
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.919g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.101g/mol
Monoisotopic Mass:
255.919g/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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