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Home > Aldehydes > 1267502-64-6
1267502-64-6 | Benzaldehyde, 4-ethynyl-2-fluoro-
CAS No: 1267502-64-6 Catalog No: AG000T6U MDL No:
Product Description
Catalog Number:
AG000T6U
Chemical Name:
Benzaldehyde, 4-ethynyl-2-fluoro-
CAS Number:
1267502-64-6
Molecular Formula:
C9H5FO
Molecular Weight:
148.1338
IUPAC Name:
4-ethynyl-2-fluorobenzaldehyde
InChI:
InChI=1S/C9H5FO/c1-2-7-3-4-8(6-11)9(10)5-7/h1,3-6H
InChI Key:
SLSHYCVXNLXDGU-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c(c1)F)C=O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.136g/mol
Monoisotopic Mass:
148.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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