Home Aldehydes 3-Fluoro-4-methylbenzaldehyde

3-Fluoro-4-methylbenzaldehyde

CAS No.:
177756-62-6
Catalog Number:
AG0025IQ
Molecular Formula:
C8H7FO
Molecular Weight:
138.1390
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$28
- +
25g
97%
In Stock USA
United States
$88
- +
100g
97%
In Stock USA
United States
$219
- +
Product Description
Catalog Number:
AG0025IQ
Chemical Name:
3-Fluoro-4-methylbenzaldehyde
CAS Number:
177756-62-6
Molecular Formula:
C8H7FO
Molecular Weight:
138.1390
MDL Number:
MFCD01631532
IUPAC Name:
3-fluoro-4-methylbenzaldehyde
InChI:
InChI=1S/C8H7FO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3
InChI Key:
UFPBMVRONDLOGK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)C
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.141g/mol
Monoisotopic Mass:
138.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. Journal of medicinal chemistry 20110113
Properties