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Home > Aldehydes > 111991-26-5
111991-26-5 | 2-(4-fluoro-2-methylphenyl)acetaldehyde
CAS No: 111991-26-5 Catalog No: AG01C3T4 MDL No:MFCD12031755
Product Description
Catalog Number:
AG01C3T4
Chemical Name:
2-(4-fluoro-2-methylphenyl)acetaldehyde
CAS Number:
111991-26-5
Molecular Formula:
C9H9FO
Molecular Weight:
152.1656
MDL Number:
MFCD12031755
IUPAC Name:
2-(4-fluoro-2-methylphenyl)acetaldehyde
InChI:
InChI=1S/C9H9FO/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,5-6H,4H2,1H3
InChI Key:
TXVHPJFSZLMMPP-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(cc1C)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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