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1270830-88-0 | 4-Bromobenzyl-(2,5-dimethylphenyl)ether
CAS No: 1270830-88-0 Catalog No: AG01FCA4 MDL No:
Product Description
Catalog Number:
AG01FCA4
Chemical Name:
4-Bromobenzyl-(2,5-dimethylphenyl)ether
CAS Number:
1270830-88-0
Molecular Formula:
C15H15BrO
Molecular Weight:
291.1830
IUPAC Name:
2-[(4-bromophenyl)methoxy]-1,4-dimethylbenzene
InChI:
InChI=1S/C15H15BrO/c1-11-3-4-12(2)15(9-11)17-10-13-5-7-14(16)8-6-13/h3-9H,10H2,1-2H3
InChI Key:
QEFDXKMQWDBBRD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)COc1cc(C)ccc1C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.188g/mol
Monoisotopic Mass:
290.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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