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Home > Fluorides > 824391-94-8
824391-94-8 | Benzene, 1-fluoro-4-(2-methylbutyl)-
CAS No: 824391-94-8 Catalog No: AG0051NG MDL No:
Product Description
Catalog Number:
AG0051NG
Chemical Name:
Benzene, 1-fluoro-4-(2-methylbutyl)-
CAS Number:
824391-94-8
Molecular Formula:
C11H15F
Molecular Weight:
166.2352
IUPAC Name:
1-fluoro-4-(2-methylbutyl)benzene
InChI:
InChI=1S/C11H15F/c1-3-9(2)8-10-4-6-11(12)7-5-10/h4-7,9H,3,8H2,1-2H3
InChI Key:
PRZGQUNNIYIXAY-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccc(cc1)F)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.116g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.239g/mol
Monoisotopic Mass:
166.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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