AE62456
1415819-86-1 | 5-[(t-Butoxy)carbonyl]pyridine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62456
ChemicalName
5-[(t-Butoxy)carbonyl]pyridine-2-carboxylic acid
CasNumber
1415819-86-1
MolecularFormula
C11H13NO4
MolecularWeight
223.2252
MdlNumber
MFCD22586693
Smiles
O=C(c1ccc(nc1)C(=O)O)OC(C)(C)C
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.5
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CatalogNumber: AE62456
ChemicalName: 5-[(t-Butoxy)carbonyl]pyridine-2-carboxylic acid
CasNumber: 1415819-86-1
MolecularFormula: C11H13NO4
MolecularWeight: 223.2252
MdlNumber: MFCD22586693
Smiles: O=C(c1ccc(nc1)C(=O)O)OC(C)(C)C
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AE62456
ChemicalName:
5-[(t-Butoxy)carbonyl]pyridine-2-carboxylic acid
CasNumber:
1415819-86-1
MolecularFormula:
C11H13NO4
MolecularWeight:
223.2252
MdlNumber:
MFCD22586693
Smiles:
O=C(c1ccc(nc1)C(=O)O)OC(C)(C)C
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCn1cnc2c1ccc(c2)C#N
Complexity: 255
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCn1cnc2c1ccc(c2)C#N
Complexity:
255
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AE62458
ChemicalName: 1-Butyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber: 1403483-83-9
MolecularFormula: C11H12N4
MolecularWeight: 200.2398
MdlNumber: MFCD22549326
Smiles: CCCCn1nnc2c1ccc(c2)C#N
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AE62458
ChemicalName:
1-Butyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber:
1403483-83-9
MolecularFormula:
C11H12N4
MolecularWeight:
200.2398
MdlNumber:
MFCD22549326
Smiles:
CCCCn1nnc2c1ccc(c2)C#N
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCn1c(C)nc2c1ccc(c2)C#N
Complexity: 280
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCn1c(C)nc2c1ccc(c2)C#N
Complexity:
280
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7