AG21681
530115-96-9 | tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG21681
ChemicalName
tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate
CasNumber
530115-96-9
MolecularFormula
C12H20N2O2
MolecularWeight
224.2994
MdlNumber
MFCD11849789
Smiles
N#CC1(C)CCN(CC1)C(=O)OC(C)(C)C
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AG21681
ChemicalName: tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate
CasNumber: 530115-96-9
MolecularFormula: C12H20N2O2
MolecularWeight: 224.2994
MdlNumber: MFCD11849789
Smiles: N#CC1(C)CCN(CC1)C(=O)OC(C)(C)C
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AG21681
ChemicalName:
tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate
CasNumber:
530115-96-9
MolecularFormula:
C12H20N2O2
MolecularWeight:
224.2994
MdlNumber:
MFCD11849789
Smiles:
N#CC1(C)CCN(CC1)C(=O)OC(C)(C)C
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AG21682
ChemicalName: 5-Chloro-2-formylbenzoic acid
CasNumber: 4506-45-0
MolecularFormula: C8H5ClO3
MolecularWeight: 184.5765
MdlNumber: MFCD06739601
Smiles: O=Cc1ccc(cc1C(=O)O)Cl
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AG21682
ChemicalName:
5-Chloro-2-formylbenzoic acid
CasNumber:
4506-45-0
MolecularFormula:
C8H5ClO3
MolecularWeight:
184.5765
MdlNumber:
MFCD06739601
Smiles:
O=Cc1ccc(cc1C(=O)O)Cl
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.7
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Smiles: Brc1ccc2c(c1)ncc(n2)O
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Brc1ccc2c(c1)ncc(n2)O
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Smiles: Cc1cc(N)nc(n1)C(F)(F)F
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Smiles:
Cc1cc(N)nc(n1)C(F)(F)F
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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