AI32493
1363210-35-8 | tert-Butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI32493
ChemicalName
tert-Butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber
1363210-35-8
MolecularFormula
C12H21NO3
MolecularWeight
227.3000400000001
MdlNumber
MFCD22209678
Smiles
OCC1CC2CC1CN2C(=O)OC(C)(C)C
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
3
Xlogp3
1.3
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CatalogNumber: AI32493
ChemicalName: tert-Butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber: 1363210-35-8
MolecularFormula: C12H21NO3
MolecularWeight: 227.3000400000001
MdlNumber: MFCD22209678
Smiles: OCC1CC2CC1CN2C(=O)OC(C)(C)C
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 3
Xlogp3: 1.3
CatalogNumber:
AI32493
ChemicalName:
tert-Butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber:
1363210-35-8
MolecularFormula:
C12H21NO3
MolecularWeight:
227.3000400000001
MdlNumber:
MFCD22209678
Smiles:
OCC1CC2CC1CN2C(=O)OC(C)(C)C
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
3
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cc2n(n1)ccc(=O)[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1cc2n(n1)ccc(=O)[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI32495
ChemicalName: Methyl 2-(6-(trifluoromethyl)pyridin-3-yl)acetate
CasNumber: 1363210-38-1
MolecularFormula: C9H8F3NO2
MolecularWeight: 219.1605
MdlNumber: MFCD23378473
Smiles: COC(=O)Cc1ccc(nc1)C(F)(F)F
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
AI32495
ChemicalName:
Methyl 2-(6-(trifluoromethyl)pyridin-3-yl)acetate
CasNumber:
1363210-38-1
MolecularFormula:
C9H8F3NO2
MolecularWeight:
219.1605
MdlNumber:
MFCD23378473
Smiles:
COC(=O)Cc1ccc(nc1)C(F)(F)F
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C12CCC(C2)CN(C1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C12CCC(C2)CN(C1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__