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Home > Bromides > 1163249-86-2
1163249-86-2 | 1-Bromo-3-n-butyloxy-5-fluorobenzene
CAS No: 1163249-86-2 Catalog No: AG01EQU0 MDL No:
Product Description
Catalog Number:
AG01EQU0
Chemical Name:
1-Bromo-3-n-butyloxy-5-fluorobenzene
CAS Number:
1163249-86-2
Molecular Formula:
C10H12BrFO
Molecular Weight:
247.1041
IUPAC Name:
1-bromo-3-butoxy-5-fluorobenzene
InChI:
InChI=1S/C10H12BrFO/c1-2-3-4-13-10-6-8(11)5-9(12)7-10/h5-7H,2-4H2,1H3
InChI Key:
OCKVQUURBASQNE-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(F)cc(c1)Br
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.107g/mol
Monoisotopic Mass:
246.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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