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167858-56-2 | Benzene, 1-bromo-2-fluoro-4-propyl-
CAS No: 167858-56-2 Catalog No: AG001XNK MDL No:MFCD00804632
Product Description
Catalog Number:
AG001XNK
Chemical Name:
Benzene, 1-bromo-2-fluoro-4-propyl-
CAS Number:
167858-56-2
Molecular Formula:
C9H10BrF
Molecular Weight:
217.0781
MDL Number:
MFCD00804632
IUPAC Name:
1-bromo-2-fluoro-4-propylbenzene
InChI:
InChI=1S/C9H10BrF/c1-2-3-7-4-5-8(10)9(11)6-7/h4-6H,2-3H2,1H3
InChI Key:
NYAHPJZGIZIGEL-UHFFFAOYSA-N
SMILES:
CCCc1ccc(c(c1)F)Br
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.081g/mol
Monoisotopic Mass:
215.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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