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6279-34-1 | 2-Bromobenzyl-(4-methylphenyl)ether
CAS No: 6279-34-1 Catalog No: AG01EWQ9 MDL No:
Product Description
Catalog Number:
AG01EWQ9
Chemical Name:
2-Bromobenzyl-(4-methylphenyl)ether
CAS Number:
6279-34-1
Molecular Formula:
C14H13BrO
Molecular Weight:
277.1564
IUPAC Name:
1-bromo-2-[(4-methylphenoxy)methyl]benzene
InChI:
InChI=1S/C14H13BrO/c1-11-6-8-13(9-7-11)16-10-12-4-2-3-5-14(12)15/h2-9H,10H2,1H3
InChI Key:
KTWZEVVMPNLUHE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OCc1ccccc1Br
NSC Number:
11286
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:
4.4
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