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1275091-44-5

1275091-44-5 | 2-Bromobenzyl-(4-tert-butylphenyl)ether

CAS No: 1275091-44-5 Catalog No: AG01FCAC MDL No:

Product Description

Catalog Number:
AG01FCAC
Chemical Name:
2-Bromobenzyl-(4-tert-butylphenyl)ether
CAS Number:
1275091-44-5
Molecular Formula:
C17H19BrO
Molecular Weight:
319.2362
IUPAC Name:
1-bromo-2-[(4-tert-butylphenoxy)methyl]benzene
InChI:
InChI=1S/C17H19BrO/c1-17(2,3)14-8-10-15(11-9-14)19-12-13-6-4-5-7-16(13)18/h4-11H,12H2,1-3H3
InChI Key:
ACRWUJZSPMRDSV-UHFFFAOYSA-N
SMILES:
Brc1ccccc1COc1ccc(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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