AA89015
166591-85-1 | 2-N-Boc-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA89015
ChemicalName
2-N-Boc-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
CasNumber
166591-85-1
MolecularFormula
C15H19NO4
MolecularWeight
277.3157
MdlNumber
MFCD08274995
Smiles
O=C(N1CCc2c(C1C(=O)O)cccc2)OC(C)(C)C
Complexity
388
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AA89015
ChemicalName: 2-N-Boc-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
CasNumber: 166591-85-1
MolecularFormula: C15H19NO4
MolecularWeight: 277.3157
MdlNumber: MFCD08274995
Smiles: O=C(N1CCc2c(C1C(=O)O)cccc2)OC(C)(C)C
Complexity: 388
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AA89015
ChemicalName:
2-N-Boc-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
CasNumber:
166591-85-1
MolecularFormula:
C15H19NO4
MolecularWeight:
277.3157
MdlNumber:
MFCD08274995
Smiles:
O=C(N1CCc2c(C1C(=O)O)cccc2)OC(C)(C)C
Complexity:
388
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
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Smiles: CCCc1scc(c1C=O)Br
Complexity: __
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HydrogenBondAcceptorCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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Smiles:
CCCc1scc(c1C=O)Br
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: CCCc1cc2c(s1)CN[C@H]1[C@H]2c2cc(OC(=O)C)c(cc2CC1)OC(=O)C.Cl
Complexity: __
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Smiles:
CCCc1cc2c(s1)CN[C@H]1[C@H]2c2cc(OC(=O)C)c(cc2CC1)OC(=O)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Fc1ccc(cc1)n1nccc1C
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
Fc1ccc(cc1)n1nccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__