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10245-72-4 | Benzo[b]thiophene-3-propanoic acid, 2-bromo-
CAS No: 10245-72-4 Catalog No: AG0007J1 MDL No:
Product Description
Catalog Number:
AG0007J1
Chemical Name:
Benzo[b]thiophene-3-propanoic acid, 2-bromo-
CAS Number:
10245-72-4
Molecular Formula:
C11H9BrO2S
Molecular Weight:
285.1570
IUPAC Name:
3-(2-bromo-1-benzothiophen-3-yl)propanoic acid
InChI:
InChI=1S/C11H9BrO2S/c12-11-8(5-6-10(13)14)7-3-1-2-4-9(7)15-11/h1-4H,5-6H2,(H,13,14)
InChI Key:
QUXUMNMEIOHQEG-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(Br)sc2c1cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.951g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.155g/mol
Monoisotopic Mass:
283.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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