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1341039-99-3,MFCD22209665
Catalog No.:AA00HT54

1341039-99-3 | Benzyl 3-chloro-4-cyano-6,7-dihydro-5H-pyrido[3,4-c]azepine-8(9H)-carboxylate

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contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA00HT54
Chemical Name:
Benzyl 3-chloro-4-cyano-6,7-dihydro-5H-pyrido[3,4-c]azepine-8(9H)-carboxylate
CAS Number:
1341039-99-3
Molecular Formula:
C18H16ClN3O2
Molecular Weight:
341.7915
MDL Number:
MFCD22209665
SMILES:
N#Cc1c(Cl)ncc2c1CCCN(C2)C(=O)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
486  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.1  

Literature
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SDS
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Tags:1341039-99-3 Molecular Formula|1341039-99-3 MDL|1341039-99-3 SMILES|1341039-99-3 Benzyl 3-chloro-4-cyano-6,7-dihydro-5H-pyrido[3,4-c]azepine-8(9H)-carboxylate
Catalog No.: AA00HT54
1341039-99-3,MFCD22209665
1341039-99-3 | Benzyl 3-chloro-4-cyano-6,7-dihydro-5H-pyrido[3,4-c]azepine-8(9H)-carboxylate
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00HT54
Chemical Name: Benzyl 3-chloro-4-cyano-6,7-dihydro-5H-pyrido[3,4-c]azepine-8(9H)-carboxylate
CAS Number: 1341039-99-3
Molecular Formula: C18H16ClN3O2
Molecular Weight: 341.7915
MDL Number: MFCD22209665
SMILES: N#Cc1c(Cl)ncc2c1CCCN(C2)C(=O)OCc1ccccc1
Properties
Complexity: 486  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 24  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.1  
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