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1230-59-7 | Benzene, 4-(1,2-dibromopropyl)-2-methoxy-1-(phenylmethoxy)-
CAS No: 1230-59-7 Catalog No: AG000JYO MDL No:
Product Description
Catalog Number:
AG000JYO
Chemical Name:
Benzene, 4-(1,2-dibromopropyl)-2-methoxy-1-(phenylmethoxy)-
CAS Number:
1230-59-7
Molecular Formula:
C17H18Br2O2
Molecular Weight:
414.1316
IUPAC Name:
4-(1,2-dibromopropyl)-2-methoxy-1-phenylmethoxybenzene
InChI:
InChI=1S/C17H18Br2O2/c1-12(18)17(19)14-8-9-15(16(10-14)20-2)21-11-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3
InChI Key:
BYMRLNQONQSHDV-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCc1ccccc1)C(C(Br)C)Br
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.965g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.137g/mol
Monoisotopic Mass:
411.967g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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