AA82355
160132-54-7 | 1-Boc-pyrrolidine-3-ethanol
Manufacturer: A2B Chem
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CatalogNumber
AA82355
ChemicalName
1-Boc-pyrrolidine-3-ethanol
CasNumber
160132-54-7
MolecularFormula
C11H21NO3
MolecularWeight
215.2893
MdlNumber
MFCD09833160
Smiles
OCCC1CCN(C1)C(=O)OC(C)(C)C
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AA82355
ChemicalName: 1-Boc-pyrrolidine-3-ethanol
CasNumber: 160132-54-7
MolecularFormula: C11H21NO3
MolecularWeight: 215.2893
MdlNumber: MFCD09833160
Smiles: OCCC1CCN(C1)C(=O)OC(C)(C)C
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AA82355
ChemicalName:
1-Boc-pyrrolidine-3-ethanol
CasNumber:
160132-54-7
MolecularFormula:
C11H21NO3
MolecularWeight:
215.2893
MdlNumber:
MFCD09833160
Smiles:
OCCC1CCN(C1)C(=O)OC(C)(C)C
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC(C1)CCOS(=O)(=O)C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(C1)CCOS(=O)(=O)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA82357
ChemicalName: 7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
CasNumber: 160129-45-3
MolecularFormula: C10H10ClNO
MolecularWeight: 195.6455
MdlNumber: MFCD06738694
Smiles: Clc1ccc2c(c1)C(=O)CCCN2
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
AA82357
ChemicalName:
7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
CasNumber:
160129-45-3
MolecularFormula:
C10H10ClNO
MolecularWeight:
195.6455
MdlNumber:
MFCD06738694
Smiles:
Clc1ccc2c(c1)C(=O)CCCN2
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(nc1Cl)Cl
Complexity: 161
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(nc1Cl)Cl
Complexity:
161
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6