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Home > Aldehydes > 1260761-93-0
1260761-93-0 | Benzeneacetaldehyde, 3-fluoro-5-methyl-
CAS No: 1260761-93-0 Catalog No: AG000R57 MDL No:
Product Description
Catalog Number:
AG000R57
Chemical Name:
Benzeneacetaldehyde, 3-fluoro-5-methyl-
CAS Number:
1260761-93-0
Molecular Formula:
C9H9FO
Molecular Weight:
152.1656
IUPAC Name:
2-(3-fluoro-5-methylphenyl)acetaldehyde
InChI:
InChI=1S/C9H9FO/c1-7-4-8(2-3-11)6-9(10)5-7/h3-6H,2H2,1H3
InChI Key:
XLAQHTOXJIZSLT-UHFFFAOYSA-N
SMILES:
O=CCc1cc(C)cc(c1)F
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.168g/mol
Monoisotopic Mass:
152.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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