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Home > Bromides > 1273998-32-5
1273998-32-5 | 3-Bromobenzyl-(4-tert-butylphenyl)ether
CAS No: 1273998-32-5 Catalog No: AG01FCA9 MDL No:
Product Description
Catalog Number:
AG01FCA9
Chemical Name:
3-Bromobenzyl-(4-tert-butylphenyl)ether
CAS Number:
1273998-32-5
Molecular Formula:
C17H19BrO
Molecular Weight:
319.2362
IUPAC Name:
1-bromo-3-[(4-tert-butylphenoxy)methyl]benzene
InChI:
InChI=1S/C17H19BrO/c1-17(2,3)14-7-9-16(10-8-14)19-12-13-5-4-6-15(18)11-13/h4-11H,12H2,1-3H3
InChI Key:
RSWJDNRFYUDTCG-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)COc1ccc(cc1)C(C)(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.242g/mol
Monoisotopic Mass:
318.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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