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Home > Aldehydes > 306936-57-2
306936-57-2 | 1H-Pyrazole-4-carboxaldehyde, 3-(4-fluorophenyl)-
CAS No: 306936-57-2 Catalog No: AG0030XK MDL No:MFCD01922131
Product Description
Catalog Number:
AG0030XK
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(4-fluorophenyl)-
CAS Number:
306936-57-2
Molecular Formula:
C10H7FN2O
Molecular Weight:
190.1738
MDL Number:
MFCD01922131
IUPAC Name:
5-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H7FN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
InChI Key:
CMXTUUXWJBLVEH-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1ccc(cc1)F
Properties
Complexity:
204
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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