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960589-12-2 | 3-Fluoro-5-methylphenylacetylene
CAS No: 960589-12-2 Catalog No: AG01F07I MDL No:
Product Description
Catalog Number:
AG01F07I
Chemical Name:
3-Fluoro-5-methylphenylacetylene
CAS Number:
960589-12-2
Molecular Formula:
C9H7F
Molecular Weight:
134.1503
IUPAC Name:
1-ethynyl-3-fluoro-5-methylbenzene
InChI:
InChI=1S/C9H7F/c1-3-8-4-7(2)5-9(10)6-8/h1,4-6H,2H3
InChI Key:
UOUSZBMREDOLON-UHFFFAOYSA-N
SMILES:
C#Cc1cc(C)cc(c1)F
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.153g/mol
Monoisotopic Mass:
134.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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