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5422-46-8 | 3-Bromobenzyl-(4-methylphenyl)ether
CAS No: 5422-46-8 Catalog No: AG01EWEL MDL No:
Product Description
Catalog Number:
AG01EWEL
Chemical Name:
3-Bromobenzyl-(4-methylphenyl)ether
CAS Number:
5422-46-8
Molecular Formula:
C14H13BrO
Molecular Weight:
277.1564
IUPAC Name:
1-bromo-3-[(4-methylphenoxy)methyl]benzene
InChI:
InChI=1S/C14H13BrO/c1-11-5-7-14(8-6-11)16-10-12-3-2-4-13(15)9-12/h2-9H,10H2,1H3
InChI Key:
KRRMBXUMRJBLPC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OCc1cccc(c1)Br
NSC Number:
11169
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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