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1041170-80-2 | 5-FLUORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 1041170-80-2 Catalog No: AG01AOP9 MDL No:MFCD24540507
Product Description
Catalog Number:
AG01AOP9
Chemical Name:
5-FLUORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
1041170-80-2
Molecular Formula:
C6H7FN2O
Molecular Weight:
142.1310
MDL Number:
MFCD24540507
IUPAC Name:
5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H7FN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3
InChI Key:
ZIBYBDIMFRIMQY-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1F)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.133g/mol
Monoisotopic Mass:
142.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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