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2561-17-3 | 3-Fluorophenylacetylene
CAS No: 2561-17-3 Catalog No: AG0033PO MDL No:MFCD03093798
Product Description
Catalog Number:
AG0033PO
Chemical Name:
3-Fluorophenylacetylene
CAS Number:
2561-17-3
Molecular Formula:
C8H5F
Molecular Weight:
120.1237
MDL Number:
MFCD03093798
IUPAC Name:
1-ethynyl-3-fluorobenzene
InChI:
InChI=1S/C8H5F/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChI Key:
PTRUTZFCVFUTMW-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)F
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.126g/mol
Monoisotopic Mass:
120.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Characterization of substituted polyacetylene microstructure by pyrolysis gas chromatography. | Journal of separation science 20070301 |
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