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39891-04-8 | 5-Fluoronicotinaldehyde
CAS No: 39891-04-8 Catalog No: AG0076S0 MDL No:MFCD07778429
Product Description
Catalog Number:
AG0076S0
Chemical Name:
5-Fluoronicotinaldehyde
CAS Number:
39891-04-8
Molecular Formula:
C6H4FNO
Molecular Weight:
125.1005
MDL Number:
MFCD07778429
IUPAC Name:
5-fluoropyridine-3-carbaldehyde
InChI:
InChI=1S/C6H4FNO/c7-6-1-5(4-9)2-8-3-6/h1-4H
InChI Key:
FEPXZFGQVDIXMZ-UHFFFAOYSA-N
SMILES:
Fc1cc(C=O)cnc1
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.028g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.102g/mol
Monoisotopic Mass:
125.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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