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18966-15-9 | Oxirane, 2-[[(3-bromo[1,1'-biphenyl]-4-yl)oxy]methyl]-
CAS No: 18966-15-9 Catalog No: AG002DV4 MDL No:
Product Description
Catalog Number:
AG002DV4
Chemical Name:
Oxirane, 2-[[(3-bromo[1,1'-biphenyl]-4-yl)oxy]methyl]-
CAS Number:
18966-15-9
Molecular Formula:
C15H13BrO2
Molecular Weight:
305.1665
IUPAC Name:
2-[(2-bromo-4-phenylphenoxy)methyl]oxirane
InChI:
InChI=1S/C15H13BrO2/c16-14-8-12(11-4-2-1-3-5-11)6-7-15(14)18-10-13-9-17-13/h1-8,13H,9-10H2
InChI Key:
UKFMJDHCLCIIMP-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1OCC1OC1)c1ccccc1
NSC Number:
338421
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.01g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.171g/mol
Monoisotopic Mass:
304.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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