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1036452-97-7 | 2-Bromophenyl-(4-methylbenzyl)ether
CAS No: 1036452-97-7 Catalog No: AG01FDP2 MDL No:
Product Description
Catalog Number:
AG01FDP2
Chemical Name:
2-Bromophenyl-(4-methylbenzyl)ether
CAS Number:
1036452-97-7
Molecular Formula:
C14H13BrO
Molecular Weight:
277.1564
IUPAC Name:
1-bromo-2-[(4-methylphenyl)methoxy]benzene
InChI:
InChI=1S/C14H13BrO/c1-11-6-8-12(9-7-11)10-16-14-5-3-2-4-13(14)15/h2-9H,10H2,1H3
InChI Key:
UPQCJXWNWBHQPR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)COc1ccccc1Br
Properties
Complexity:
199
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:
4.3
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