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89556-11-6 | Thiophene, 3-bromo-5-methyl-2-(phenylethynyl)-
CAS No: 89556-11-6 Catalog No: AG003ZN5 MDL No:
Product Description
Catalog Number:
AG003ZN5
Chemical Name:
Thiophene, 3-bromo-5-methyl-2-(phenylethynyl)-
CAS Number:
89556-11-6
Molecular Formula:
C13H9BrS
Molecular Weight:
277.1796
IUPAC Name:
3-bromo-5-methyl-2-(2-phenylethynyl)thiophene
InChI:
InChI=1S/C13H9BrS/c1-10-9-12(14)13(15-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3
InChI Key:
QQURAVAQUSSCJI-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1)Br)C#Cc1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.961g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.179g/mol
Monoisotopic Mass:
275.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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