AI55008
689141-95-5 | 4-Chloro-2-(piperidin-1-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI55008
ChemicalName
4-Chloro-2-(piperidin-1-yl)benzonitrile
CasNumber
689141-95-5
MolecularFormula
C12H13ClN2
MolecularWeight
220.698
MdlNumber
MFCD09865160
Smiles
N#Cc1ccc(cc1N1CCCCC1)Cl
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AI55008
ChemicalName: 4-Chloro-2-(piperidin-1-yl)benzonitrile
CasNumber: 689141-95-5
MolecularFormula: C12H13ClN2
MolecularWeight: 220.698
MdlNumber: MFCD09865160
Smiles: N#Cc1ccc(cc1N1CCCCC1)Cl
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AI55008
ChemicalName:
4-Chloro-2-(piperidin-1-yl)benzonitrile
CasNumber:
689141-95-5
MolecularFormula:
C12H13ClN2
MolecularWeight:
220.698
MdlNumber:
MFCD09865160
Smiles:
N#Cc1ccc(cc1N1CCCCC1)Cl
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SC[C@H]([C@H](CS)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SC[C@H]([C@H](CS)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI55010
ChemicalName: 5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CasNumber: 689250-54-2
MolecularFormula: C12H12N2O2
MolecularWeight: 216.2359
MdlNumber: MFCD11983444
Smiles: COc1ccc(cc1)c1c(C=O)cnn1C
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AI55010
ChemicalName:
5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CasNumber:
689250-54-2
MolecularFormula:
C12H12N2O2
MolecularWeight:
216.2359
MdlNumber:
MFCD11983444
Smiles:
COc1ccc(cc1)c1c(C=O)cnn1C
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cncn1c1ccc(cc1)F
Complexity: 267
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cncn1c1ccc(cc1)F
Complexity:
267
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3