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88174-36-1 | Benzaldehyde, 6-fluoro-2,3,4-trimethyl-
CAS No: 88174-36-1 Catalog No: AG004DSM MDL No:
Product Description
Catalog Number:
AG004DSM
Chemical Name:
Benzaldehyde, 6-fluoro-2,3,4-trimethyl-
CAS Number:
88174-36-1
Molecular Formula:
C10H11FO
Molecular Weight:
166.1921
IUPAC Name:
6-fluoro-2,3,4-trimethylbenzaldehyde
InChI:
InChI=1S/C10H11FO/c1-6-4-10(11)9(5-12)8(3)7(6)2/h4-5H,1-3H3
InChI Key:
DJFPFUXNLOOYTQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(F)cc(c(c1C)C)C
Properties
Complexity:
169
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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