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Home > Aldehydes > 109925-15-7
109925-15-7 | 1H-Pyrazole-4-carboxaldehyde, 5-(2-fluorophenoxy)-1,3-dimethyl-
CAS No: 109925-15-7 Catalog No: AG007EF4 MDL No:
Product Description
Catalog Number:
AG007EF4
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 5-(2-fluorophenoxy)-1,3-dimethyl-
CAS Number:
109925-15-7
Molecular Formula:
C12H11FN2O2
Molecular Weight:
234.2263
IUPAC Name:
5-(2-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H11FN2O2/c1-8-9(7-16)12(15(2)14-8)17-11-6-4-3-5-10(11)13/h3-7H,1-2H3
InChI Key:
JUBCMALJMNMEKH-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1Oc1ccccc1F)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.23g/mol
Monoisotopic Mass:
234.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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