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177756-62-6 | Benzaldehyde, 3-fluoro-4-methyl-
CAS No: 177756-62-6 Catalog No: AG0025IQ MDL No:MFCD01631532
Product Description
Catalog Number:
AG0025IQ
Chemical Name:
Benzaldehyde, 3-fluoro-4-methyl-
CAS Number:
177756-62-6
Molecular Formula:
C8H7FO
Molecular Weight:
138.1390
MDL Number:
MFCD01631532
IUPAC Name:
3-fluoro-4-methylbenzaldehyde
InChI:
InChI=1S/C8H7FO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3
InChI Key:
UFPBMVRONDLOGK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.141g/mol
Monoisotopic Mass:
138.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. | Journal of medicinal chemistry 20110113 |
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