AB34739
286947-16-8 | tert-Butyl 3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB34739
ChemicalName
tert-Butyl 3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CasNumber
286947-16-8
MolecularFormula
C12H22N2O2
MolecularWeight
226.3153
MdlNumber
MFCD13196397
Smiles
O=C(N1CCC2NC(C1)CC2)OC(C)(C)C
Complexity
273
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.4
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CatalogNumber: AB34739
ChemicalName: tert-Butyl 3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CasNumber: 286947-16-8
MolecularFormula: C12H22N2O2
MolecularWeight: 226.3153
MdlNumber: MFCD13196397
Smiles: O=C(N1CCC2NC(C1)CC2)OC(C)(C)C
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.4
CatalogNumber:
AB34739
ChemicalName:
tert-Butyl 3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CasNumber:
286947-16-8
MolecularFormula:
C12H22N2O2
MolecularWeight:
226.3153
MdlNumber:
MFCD13196397
Smiles:
O=C(N1CCC2NC(C1)CC2)OC(C)(C)C
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.4
CatalogNumber: AB34740
ChemicalName: 5-Bromo-2-chloro-3-methoxypyridine
CasNumber: 286947-03-3
MolecularFormula: C6H5BrClNO
MolecularWeight: 222.467
MdlNumber: MFCD08234976
Smiles: COc1cc(Br)cnc1Cl
Complexity: 114
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
AB34740
ChemicalName:
5-Bromo-2-chloro-3-methoxypyridine
CasNumber:
286947-03-3
MolecularFormula:
C6H5BrClNO
MolecularWeight:
222.467
MdlNumber:
MFCD08234976
Smiles:
COc1cc(Br)cnc1Cl
Complexity:
114
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5
CatalogNumber: AB34741
ChemicalName: 5-Bromo-2-chloro-pyridin-3-ol
CasNumber: 286946-77-8
MolecularFormula: C5H3BrClNO
MolecularWeight: 208.4404
MdlNumber: MFCD08688592
Smiles: Brc1cnc(c(c1)O)Cl
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AB34741
ChemicalName:
5-Bromo-2-chloro-pyridin-3-ol
CasNumber:
286946-77-8
MolecularFormula:
C5H3BrClNO
MolecularWeight:
208.4404
MdlNumber:
MFCD08688592
Smiles:
Brc1cnc(c(c1)O)Cl
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC2CC(C1)N(C2)C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC2CC(C1)N(C2)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__