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138254-23-6 | Benzo[b]thiophene, 3-bromo-2-(4-methylphenyl)-
CAS No: 138254-23-6 Catalog No: AG0018E2 MDL No:
Product Description
Catalog Number:
AG0018E2
Chemical Name:
Benzo[b]thiophene, 3-bromo-2-(4-methylphenyl)-
CAS Number:
138254-23-6
Molecular Formula:
C15H11BrS
Molecular Weight:
303.2168
IUPAC Name:
3-bromo-2-(4-methylphenyl)-1-benzothiophene
InChI:
InChI=1S/C15H11BrS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
InChI Key:
GOAJYXBQZUALDN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1sc2c(c1Br)cccc2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.976g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.217g/mol
Monoisotopic Mass:
301.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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