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88174-35-0 | Benzaldehyde, 2-fluoro-3,4,5,6-tetramethyl-
CAS No: 88174-35-0 Catalog No: AG004FIX MDL No:
Product Description
Catalog Number:
AG004FIX
Chemical Name:
Benzaldehyde, 2-fluoro-3,4,5,6-tetramethyl-
CAS Number:
88174-35-0
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
IUPAC Name:
2-fluoro-3,4,5,6-tetramethylbenzaldehyde
InChI:
InChI=1S/C11H13FO/c1-6-7(2)9(4)11(12)10(5-13)8(6)3/h5H,1-4H3
InChI Key:
JNJOSSWUNUUVGP-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(C)c(c(c1F)C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.222g/mol
Monoisotopic Mass:
180.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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