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845866-47-9 | 1-(2-[(4-bromobenzyl)oxy]phenyl)ethanone
CAS No: 845866-47-9 Catalog No: AG01EXQR MDL No:MFCD06411652
Product Description
Catalog Number:
AG01EXQR
Chemical Name:
1-(2-[(4-bromobenzyl)oxy]phenyl)ethanone
CAS Number:
845866-47-9
Molecular Formula:
C15H13BrO2
Molecular Weight:
305.1665
MDL Number:
MFCD06411652
IUPAC Name:
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanone
InChI:
InChI=1S/C15H13BrO2/c1-11(17)14-4-2-3-5-15(14)18-10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChI Key:
RUXZKHRTPJWTTB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)COc1ccccc1C(=O)C
Properties
Complexity:
272
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:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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