sales@angenesci.com
Login | Register
logo
Structures Search
Home Aldehydes 1-(3-Fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

1-(3-Fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

CAS No.:
428497-01-2
Catalog Number:
AG0071CN
Molecular Formula:
C13H12FNO
Molecular Weight:
217.2389
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG0071CN
Chemical Name:
1-(3-Fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS Number:
428497-01-2
Molecular Formula:
C13H12FNO
Molecular Weight:
217.2389
MDL Number:
MFCD02611660
IUPAC Name:
1-(3-fluorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H12FNO/c1-9-6-11(8-16)10(2)15(9)13-5-3-4-12(14)7-13/h3-8H,1-2H3
InChI Key:
PLCBYAIRHPWRPH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1cccc(c1)F)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.243g/mol
Monoisotopic Mass:
217.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties