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Home > Bromides > 1017031-94-5
1017031-94-5 | 1-Bromo-2-iso-butyloxy-5-fluorobenzene
CAS No: 1017031-94-5 Catalog No: AG01EQLI MDL No:
Product Description
Catalog Number:
AG01EQLI
Chemical Name:
1-Bromo-2-iso-butyloxy-5-fluorobenzene
CAS Number:
1017031-94-5
Molecular Formula:
C10H12BrFO
Molecular Weight:
247.1041
IUPAC Name:
2-bromo-4-fluoro-1-(2-methylpropoxy)benzene
InChI:
InChI=1S/C10H12BrFO/c1-7(2)6-13-10-4-3-8(12)5-9(10)11/h3-5,7H,6H2,1-2H3
InChI Key:
YKZIMYATIZKRAF-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1Br)F)C
Properties
Complexity:
152
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:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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