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115723-45-0 | Benzene, (2-fluoro-1-methylethyl)-
CAS No: 115723-45-0 Catalog No: AG000GSL MDL No:
Product Description
Catalog Number:
AG000GSL
Chemical Name:
Benzene, (2-fluoro-1-methylethyl)-
CAS Number:
115723-45-0
Molecular Formula:
C9H11F
Molecular Weight:
138.1820
IUPAC Name:
1-fluoropropan-2-ylbenzene
InChI:
InChI=1S/C9H11F/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
RFBUZWVPADPYJE-UHFFFAOYSA-N
SMILES:
FCC(c1ccccc1)C
Properties
Complexity:
84.7
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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