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164352-24-3 | Benzene, 1-bromo-4-[(2-ethylhexyl)oxy]-
CAS No: 164352-24-3 Catalog No: AG001UTE MDL No:MFCD18360910
Product Description
Catalog Number:
AG001UTE
Chemical Name:
Benzene, 1-bromo-4-[(2-ethylhexyl)oxy]-
CAS Number:
164352-24-3
Molecular Formula:
C14H21BrO
Molecular Weight:
285.2199
MDL Number:
MFCD18360910
IUPAC Name:
1-bromo-4-(2-ethylhexoxy)benzene
InChI:
InChI=1S/C14H21BrO/c1-3-5-6-12(4-2)11-16-14-9-7-13(15)8-10-14/h7-10,12H,3-6,11H2,1-2H3
InChI Key:
PLKHKVHXKXGJAO-UHFFFAOYSA-N
SMILES:
CCCCC(COc1ccc(cc1)Br)CC
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.225g/mol
Monoisotopic Mass:
284.078g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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