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Home > Fluorides > 1245649-46-0
1245649-46-0 | Benzene, 1-butyl-3,5-difluoro-
CAS No: 1245649-46-0 Catalog No: AG000MDD MDL No:MFCD18072534
Product Description
Catalog Number:
AG000MDD
Chemical Name:
Benzene, 1-butyl-3,5-difluoro-
CAS Number:
1245649-46-0
Molecular Formula:
C10H12F2
Molecular Weight:
170.1991
MDL Number:
MFCD18072534
IUPAC Name:
1-butyl-3,5-difluorobenzene
InChI:
InChI=1S/C10H12F2/c1-2-3-4-8-5-9(11)7-10(12)6-8/h5-7H,2-4H2,1H3
InChI Key:
DWFGLXVQRLJKAF-UHFFFAOYSA-N
SMILES:
CCCCc1cc(F)cc(c1)F
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.091g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.203g/mol
Monoisotopic Mass:
170.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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