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1036451-47-4 | 3-Bromophenyl-(3-methylbenzyl)ether
CAS No: 1036451-47-4 Catalog No: AG01FDP1 MDL No:
Product Description
Catalog Number:
AG01FDP1
Chemical Name:
3-Bromophenyl-(3-methylbenzyl)ether
CAS Number:
1036451-47-4
Molecular Formula:
C14H13BrO
Molecular Weight:
277.1564
IUPAC Name:
1-bromo-3-[(3-methylphenyl)methoxy]benzene
InChI:
InChI=1S/C14H13BrO/c1-11-4-2-5-12(8-11)10-16-14-7-3-6-13(15)9-14/h2-9H,10H2,1H3
InChI Key:
OUXWSKVQIIQRLJ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)COc1cccc(c1)Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.161g/mol
Monoisotopic Mass:
276.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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