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Home > Aldehydes > 749874-24-6
749874-24-6 | Benzaldehyde,2-ethynyl-4-fluoro-
CAS No: 749874-24-6 Catalog No: AG0057GI MDL No:
Product Description
Catalog Number:
AG0057GI
Chemical Name:
Benzaldehyde,2-ethynyl-4-fluoro-
CAS Number:
749874-24-6
Molecular Formula:
C9H5FO
Molecular Weight:
148.1338
IUPAC Name:
2-ethynyl-4-fluorobenzaldehyde
InChI:
InChI=1S/C9H5FO/c1-2-7-5-9(10)4-3-8(7)6-11/h1,3-6H
InChI Key:
KOLCSYHIVUAGEF-UHFFFAOYSA-N
SMILES:
C#Cc1cc(F)ccc1C=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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