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1835-12-7 | Ethanone, 2-bromo-1-[3-methoxy-4-(phenylmethoxy)phenyl]-
CAS No: 1835-12-7 Catalog No: AG0027N8 MDL No:
Product Description
Catalog Number:
AG0027N8
Chemical Name:
Ethanone, 2-bromo-1-[3-methoxy-4-(phenylmethoxy)phenyl]-
CAS Number:
1835-12-7
Molecular Formula:
C16H15BrO3
Molecular Weight:
335.1925
IUPAC Name:
2-bromo-1-(3-methoxy-4-phenylmethoxyphenyl)ethanone
InChI:
InChI=1S/C16H15BrO3/c1-19-16-9-13(14(18)10-17)7-8-15(16)20-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChI Key:
RNOVVVKWCOIIEH-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)OC)OCc1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.02g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.197g/mol
Monoisotopic Mass:
334.02g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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