AC28364
831203-34-0 | tert-Butyl 2-(5-bromopyridin-2-yl)-2-cyanoacetate
Manufacturer: A2B Chem
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CatalogNumber
AC28364
ChemicalName
tert-Butyl 2-(5-bromopyridin-2-yl)-2-cyanoacetate
CasNumber
831203-34-0
MolecularFormula
C12H13BrN2O2
MolecularWeight
297.1478
MdlNumber
MFCD18311911
Smiles
N#CC(c1ccc(cn1)Br)C(=O)OC(C)(C)C
Complexity
329
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AC28364
ChemicalName: tert-Butyl 2-(5-bromopyridin-2-yl)-2-cyanoacetate
CasNumber: 831203-34-0
MolecularFormula: C12H13BrN2O2
MolecularWeight: 297.1478
MdlNumber: MFCD18311911
Smiles: N#CC(c1ccc(cn1)Br)C(=O)OC(C)(C)C
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AC28364
ChemicalName:
tert-Butyl 2-(5-bromopyridin-2-yl)-2-cyanoacetate
CasNumber:
831203-34-0
MolecularFormula:
C12H13BrN2O2
MolecularWeight:
297.1478
MdlNumber:
MFCD18311911
Smiles:
N#CC(c1ccc(cn1)Br)C(=O)OC(C)(C)C
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
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Smiles: N#CCc1ncc(cn1)Br
Complexity: __
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Smiles:
N#CCc1ncc(cn1)Br
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Smiles: Oc1ccc(cc1)NCc1nc(Cl)nc2c1cccc2
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Smiles:
Oc1ccc(cc1)NCc1nc(Cl)nc2c1cccc2
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Smiles: N#Cc1cc(C)cc(n1)c1cccc(c1)C(F)(F)F
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc(C)cc(n1)c1cccc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__