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340131-70-6,MFCD16999197
Catalog No.:AA00C6RM

340131-70-6 | 3-(tert-Butyl)-2-hydroxybenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$16.00   $12.00
- +
250mg
97%
in stock  
$20.00   $14.00
- +
1g
97%
in stock  
$54.00   $38.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C6RM
Chemical Name:
3-(tert-Butyl)-2-hydroxybenzonitrile
CAS Number:
340131-70-6
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD16999197
SMILES:
N#Cc1cccc(c1O)C(C)(C)C
Properties
Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Upstream Synthesis Route

[1]TetrahedronLetters,2008,vol.49,#28,p.4443-4445

Downstream Synthesis Route

[1]Peng,Yungui;Feng,Xiaoming;Yu,Kaibai;Li,Zhi;Jiang,Yaozhong;Yeung,Chi-Hung[JournalofOrganometallicChemistry,2001,vol.619,#1-2,p.204-208]

[2]Peng;Feng;Cui;Jiang;Chan[SyntheticCommunications,2001,vol.31,#15,p.2287-2296]

Literature
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SDS
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Tags:340131-70-6 Molecular Formula|340131-70-6 MDL|340131-70-6 SMILES|340131-70-6 3-(tert-Butyl)-2-hydroxybenzonitrile
Catalog No.: AA00C6RM
340131-70-6,MFCD16999197
340131-70-6 | 3-(tert-Butyl)-2-hydroxybenzonitrile
Pack Size： 100mg
Purity： 97%
in stock
$16.00 $12.00
Pack Size： 250mg
Purity： 97%
in stock
$20.00 $14.00
Pack Size： 1g
Purity： 97%
in stock
$54.00 $38.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C6RM
Chemical Name: 3-(tert-Butyl)-2-hydroxybenzonitrile
CAS Number: 340131-70-6
Molecular Formula: C11H13NO
Molecular Weight: 175.2270
MDL Number: MFCD16999197
SMILES: N#Cc1cccc(c1O)C(C)(C)C
Properties
Complexity: 220  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Upstream Synthesis Route
50-00-0    88-18-6    340131-70-6 

[1]TetrahedronLetters,2008,vol.49,#28,p.4443-4445

Downstream Synthesis Route
23190-17-2    340131-70-6    340131-68-2 

[1]Peng,Yungui;Feng,Xiaoming;Yu,Kaibai;Li,Zhi;Jiang,Yaozhong;Yeung,Chi-Hung[JournalofOrganometallicChemistry,2001,vol.619,#1-2,p.204-208]

[2]Peng;Feng;Cui;Jiang;Chan[SyntheticCommunications,2001,vol.31,#15,p.2287-2296]

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