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1342979-38-7 | 1-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carbaldehyde
CAS No: 1342979-38-7 Catalog No: AG01AG8Q MDL No:MFCD16861563
Product Description
Catalog Number:
AG01AG8Q
Chemical Name:
1-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carbaldehyde
CAS Number:
1342979-38-7
Molecular Formula:
C11H9FN2O
Molecular Weight:
204.2004
MDL Number:
MFCD16861563
IUPAC Name:
1-[(4-fluorophenyl)methyl]pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H9FN2O/c12-11-3-1-9(2-4-11)6-14-7-10(8-15)5-13-14/h1-5,7-8H,6H2
InChI Key:
DCVFLIPBIXFHOZ-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)Cc1ccc(cc1)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.204g/mol
Monoisotopic Mass:
204.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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