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2033-80-9 | Benzene, 1-(4-bromobutoxy)-4-fluoro-
CAS No: 2033-80-9 Catalog No: AG0028SU MDL No:
Product Description
Catalog Number:
AG0028SU
Chemical Name:
Benzene, 1-(4-bromobutoxy)-4-fluoro-
CAS Number:
2033-80-9
Molecular Formula:
C10H12BrFO
Molecular Weight:
247.1041
IUPAC Name:
1-(4-bromobutoxy)-4-fluorobenzene
InChI:
InChI=1S/C10H12BrFO/c11-7-1-2-8-13-10-5-3-9(12)4-6-10/h3-6H,1-2,7-8H2
InChI Key:
SESKDKZVNDEQBM-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccc(cc1)F
Properties
Complexity:
124
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:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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