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89680-84-2 | Benzene, 1-(2-bromoethyl)-3,4-dimethoxy-2-(phenylmethoxy)-
CAS No: 89680-84-2 Catalog No: AG0042Y4 MDL No:
Product Description
Catalog Number:
AG0042Y4
Chemical Name:
Benzene, 1-(2-bromoethyl)-3,4-dimethoxy-2-(phenylmethoxy)-
CAS Number:
89680-84-2
Molecular Formula:
C17H19BrO3
Molecular Weight:
351.2350
IUPAC Name:
1-(2-bromoethyl)-3,4-dimethoxy-2-phenylmethoxybenzene
InChI:
InChI=1S/C17H19BrO3/c1-19-15-9-8-14(10-11-18)16(17(15)20-2)21-12-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3
InChI Key:
RULRDAJCXLLVTR-UHFFFAOYSA-N
SMILES:
BrCCc1ccc(c(c1OCc1ccccc1)OC)OC
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.24g/mol
Monoisotopic Mass:
350.052g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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