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Home > Fluorides > 117358-53-9
117358-53-9 | Benzene, 1,3-difluoro-5-(1-methylethyl)-
CAS No: 117358-53-9 Catalog No: AG000E6J MDL No:MFCD18825131
Product Description
Catalog Number:
AG000E6J
Chemical Name:
Benzene, 1,3-difluoro-5-(1-methylethyl)-
CAS Number:
117358-53-9
Molecular Formula:
C9H10F2
Molecular Weight:
156.1725
MDL Number:
MFCD18825131
IUPAC Name:
1,3-difluoro-5-propan-2-ylbenzene
InChI:
InChI=1S/C9H10F2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-6H,1-2H3
InChI Key:
DBJPSXMQULNSML-UHFFFAOYSA-N
SMILES:
CC(c1cc(F)cc(c1)F)C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.176g/mol
Monoisotopic Mass:
156.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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