200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 100504-75-4
100504-75-4 | Benzaldehyde, 3-ethynyl-4-fluoro-
CAS No: 100504-75-4 Catalog No: AG000278 MDL No:
Product Description
Catalog Number:
AG000278
Chemical Name:
Benzaldehyde, 3-ethynyl-4-fluoro-
CAS Number:
100504-75-4
Molecular Formula:
C9H5FO
Molecular Weight:
148.1338
IUPAC Name:
3-ethynyl-4-fluorobenzaldehyde
InChI:
InChI=1S/C9H5FO/c1-2-8-5-7(6-11)3-4-9(8)10/h1,3-6H
InChI Key:
JKQQTLCGZJYWTO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C#C)F
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.