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1224436-10-5 | 3-Bromobenzyl cyclohexyl ether
CAS No: 1224436-10-5 Catalog No: AG01FF0A MDL No:
Product Description
Catalog Number:
AG01FF0A
Chemical Name:
3-Bromobenzyl cyclohexyl ether
CAS Number:
1224436-10-5
Molecular Formula:
C13H17BrO
Molecular Weight:
269.1775
IUPAC Name:
1-bromo-3-(cyclohexyloxymethyl)benzene
InChI:
InChI=1S/C13H17BrO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2
InChI Key:
CGVFCYCQSHGTPF-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)COC1CCCCC1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.182g/mol
Monoisotopic Mass:
268.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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