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1233513-11-5 | 5-Acetyl-2-fluorophenylacetylene
CAS No: 1233513-11-5 Catalog No: AG01FELV MDL No:
Product Description
Catalog Number:
AG01FELV
Chemical Name:
5-Acetyl-2-fluorophenylacetylene
CAS Number:
1233513-11-5
Molecular Formula:
C10H7FO
Molecular Weight:
162.1604
IUPAC Name:
1-(3-ethynyl-4-fluorophenyl)ethanone
InChI:
InChI=1S/C10H7FO/c1-3-8-6-9(7(2)12)4-5-10(8)11/h1,4-6H,2H3
InChI Key:
NRRSHBMUXQFVMM-UHFFFAOYSA-N
SMILES:
C#Cc1cc(ccc1F)C(=O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.163g/mol
Monoisotopic Mass:
162.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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