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10275-58-8,MFCD00094397
Catalog No.:AA00087T
10275-58-8 | 2,7-Di-tert-butylnaphthalene
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1g
>98.0%(GC)
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Technical Information
Catalog Number:
AA00087T
Chemical Name:
2,7-Di-tert-butylnaphthalene
CAS Number:
10275-58-8
Molecular Formula:
C18H24
Molecular Weight:
240.3832
MDL Number:
MFCD00094397
IUPAC Name:
2,7-ditert-butylnaphthalene
InChI:
InChI=1S/C18H24/c1-17(2,3)15-9-7-13-8-10-16(18(4,5)6)12-14(13)11-15/h7-12H,1-6H3
InChI Key:
IHRUNSCACKKOPP-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)cc(cc2)C(C)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.188g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.39g/mol
Monoisotopic Mass:
240.188g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9  

Synonyms
 
2,7-Di-tert-butylnaphthalene 
10275-58-8 
IHRUNSCACKKOPP-UHFFFAOYSA-N 
ZINC2173584 
ANW-14740 
MFCD00094397 
AKOS024324725 
MCULE-6061615483 
CC-08250 
Naphthalene,2,7-bis(1,1-dimethylethyl)- 
TC-103485 
D2370 
2,7-ditert-butylnaphthalene 
FT-0636667 
A800612 
C-27291 
S14-1509 
2,7-Ditertbutylnaphthalene 
CID614367 
Naphthalene, 2,7-di-tert-butyl- 
ACMC-1BRXA 
AC1LD9AU 
Naphthalene, 2,7-bis(1,1-dimethylethyl)- 
2,7-di-t-butylnaphthalene 
CTK4A1451 
DTXSID30346721 
Literature

Title: 3-tert-Butyl-5,6,8-trinitro-naphtho[1,8a,8-cd][1,2]dithiole.

Journal: Acta crystallographica. Section E, Structure reports online 20080501

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