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188240-63-3 | Benzo[c]thiophene-1-carboxylic acid, 3-bromo-4,5,6,7-tetrahydro-
CAS No: 188240-63-3 Catalog No: AG002GS5 MDL No:
Product Description
Catalog Number:
AG002GS5
Chemical Name:
Benzo[c]thiophene-1-carboxylic acid, 3-bromo-4,5,6,7-tetrahydro-
CAS Number:
188240-63-3
Molecular Formula:
C9H9BrO2S
Molecular Weight:
261.1356
IUPAC Name:
3-bromo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid
InChI:
InChI=1S/C9H9BrO2S/c10-8-6-4-2-1-3-5(6)7(13-8)9(11)12/h1-4H2,(H,11,12)
InChI Key:
GTEYDYFYADFBHL-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(c2c1CCCC2)Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.133g/mol
Monoisotopic Mass:
259.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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