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1757-24-0 | Benzo[b]thiophene, 5-bromo-3-(bromomethyl)-
CAS No: 1757-24-0 Catalog No: AG002150 MDL No:
Product Description
Catalog Number:
AG002150
Chemical Name:
Benzo[b]thiophene, 5-bromo-3-(bromomethyl)-
CAS Number:
1757-24-0
Molecular Formula:
C9H6Br2S
Molecular Weight:
306.0169
IUPAC Name:
5-bromo-3-(bromomethyl)-1-benzothiophene
InChI:
InChI=1S/C9H6Br2S/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2
InChI Key:
BCLKMDBUQJYWDZ-UHFFFAOYSA-N
SMILES:
BrCc1csc2c1cc(Br)cc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.854g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.015g/mol
Monoisotopic Mass:
303.856g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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