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1694444-07-9 | 4-fluoro-3-(1-methyl-1H-pyrazol-3-yl)benzaldehyde
CAS No: 1694444-07-9 Catalog No: AG01DQGO MDL No:MFCD31458167
Product Description
Catalog Number:
AG01DQGO
Chemical Name:
4-fluoro-3-(1-methyl-1H-pyrazol-3-yl)benzaldehyde
CAS Number:
1694444-07-9
Molecular Formula:
C11H9FN2O
Molecular Weight:
204.2004
MDL Number:
MFCD31458167
IUPAC Name:
4-fluoro-3-(1-methylpyrazol-3-yl)benzaldehyde
InChI:
InChI=1S/C11H9FN2O/c1-14-5-4-11(13-14)9-6-8(7-15)2-3-10(9)12/h2-7H,1H3
InChI Key:
URGTYJPSKOZYGR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)c1ccn(n1)C)F
Properties
Complexity:
237
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:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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