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Home > Aldehydes > 133145-16-1
133145-16-1 | Benzaldehyde, 2-fluoro-3-(1-methylethyl)-
CAS No: 133145-16-1 Catalog No: AG0014C6 MDL No:MFCD18824365
Product Description
Catalog Number:
AG0014C6
Chemical Name:
Benzaldehyde, 2-fluoro-3-(1-methylethyl)-
CAS Number:
133145-16-1
Molecular Formula:
C10H11FO
Molecular Weight:
166.1921
MDL Number:
MFCD18824365
IUPAC Name:
2-fluoro-3-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C10H11FO/c1-7(2)9-5-3-4-8(6-12)10(9)11/h3-7H,1-2H3
InChI Key:
AUBMVOCTBUWDHQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1F)C(C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.195g/mol
Monoisotopic Mass:
166.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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