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403-39-4 | 1-Fluoro-4-isopropylbenzene
CAS No: 403-39-4 Catalog No: AG003EC6 MDL No:MFCD00017969
Product Description
Catalog Number:
AG003EC6
Chemical Name:
1-Fluoro-4-isopropylbenzene
CAS Number:
403-39-4
Molecular Formula:
C9H11F
Molecular Weight:
138.1820
MDL Number:
MFCD00017969
IUPAC Name:
1-fluoro-4-propan-2-ylbenzene
InChI:
InChI=1S/C9H11F/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChI Key:
XZISOEPNTDOUEA-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)F)C
EC Number:
206-957-2
NSC Number:
79875
Properties
Complexity:
90.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.185g/mol
Monoisotopic Mass:
138.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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