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1245644-77-2

1245644-77-2 | Benzene, 1-bromo-3,5-bis[(1,1-dimethylethoxy)methyl]-

CAS No: 1245644-77-2 Catalog No: AG000M9Y MDL No:

Product Description

Catalog Number:
AG000M9Y
Chemical Name:
Benzene, 1-bromo-3,5-bis[(1,1-dimethylethoxy)methyl]-
CAS Number:
1245644-77-2
Molecular Formula:
C16H25BrO2
Molecular Weight:
329.2725
IUPAC Name:
1-bromo-3,5-bis[(2-methylpropan-2-yl)oxymethyl]benzene
InChI:
InChI=1S/C16H25BrO2/c1-15(2,3)18-10-12-7-13(9-14(17)8-12)11-19-16(4,5)6/h7-9H,10-11H2,1-6H3
InChI Key:
DOOPBMHZUGISGU-UHFFFAOYSA-N
SMILES:
Brc1cc(COC(C)(C)C)cc(c1)COC(C)(C)C

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.104g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.278g/mol
Monoisotopic Mass:
328.104g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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