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936940-82-8 | 1-(3-Fluorophenyl);-1H-pyrazole-4-carbaldehyde
CAS No: 936940-82-8 Catalog No: AG0061I2 MDL No:MFCD05864517
Product Description
Catalog Number:
AG0061I2
Chemical Name:
1-(3-Fluorophenyl);-1H-pyrazole-4-carbaldehyde
CAS Number:
936940-82-8
Molecular Formula:
C10H7FN2O
Molecular Weight:
190.1738
MDL Number:
MFCD05864517
IUPAC Name:
1-(3-fluorophenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H7FN2O/c11-9-2-1-3-10(4-9)13-6-8(7-14)5-12-13/h1-7H
InChI Key:
FKZJADFSOBJBNG-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)c1cccc(c1)F
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.177g/mol
Monoisotopic Mass:
190.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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