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1516-96-7 | Benzene, 5-bromo-1,3-bis(1,1-dimethylethyl)-2-methoxy-
CAS No: 1516-96-7 Catalog No: AG001NGH MDL No:MFCD12024327
Product Description
Catalog Number:
AG001NGH
Chemical Name:
Benzene, 5-bromo-1,3-bis(1,1-dimethylethyl)-2-methoxy-
CAS Number:
1516-96-7
Molecular Formula:
C15H23BrO
Molecular Weight:
299.2465
MDL Number:
MFCD12024327
IUPAC Name:
5-bromo-1,3-ditert-butyl-2-methoxybenzene
InChI:
InChI=1S/C15H23BrO/c1-14(2,3)11-8-10(16)9-12(13(11)17-7)15(4,5)6/h8-9H,1-7H3
InChI Key:
KKHJQLVAMOKQHO-UHFFFAOYSA-N
SMILES:
COc1c(cc(cc1C(C)(C)C)Br)C(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.252g/mol
Monoisotopic Mass:
298.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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