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2022-67-5 | Benzene, 1-fluoro-2-(1-methylethyl)-
CAS No: 2022-67-5 Catalog No: AG002855 MDL No:
Product Description
Catalog Number:
AG002855
Chemical Name:
Benzene, 1-fluoro-2-(1-methylethyl)-
CAS Number:
2022-67-5
Molecular Formula:
C9H11F
Molecular Weight:
138.1820
IUPAC Name:
1-fluoro-2-propan-2-ylbenzene
InChI:
InChI=1S/C9H11F/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
InChI Key:
ICTCCOUARBGHFR-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1F)C
Properties
Complexity:
98.9
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:
3.3
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