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Home > Aldehydes > 161398-15-8
161398-15-8 | 1H-Pyrazole-4-carboxaldehyde, 3-(3-fluorophenyl)-
CAS No: 161398-15-8 Catalog No: AG001SFW MDL No:MFCD05664576
Product Description
Catalog Number:
AG001SFW
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(3-fluorophenyl)-
CAS Number:
161398-15-8
Molecular Formula:
C10H7FN2O
Molecular Weight:
190.1738
MDL Number:
MFCD05664576
IUPAC Name:
5-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H7FN2O/c11-9-3-1-2-7(4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
InChI Key:
WXVQLDOGLPCKKH-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1cccc(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:
1
Isotope Atom Count:
0
Molecular Weight:
190.177g/mol
Monoisotopic Mass:
190.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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