AA87864
161879-12-5 | H-Phg-OtBu HCl
Manufacturer: A2B Chem
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CatalogNumber
AA87864
ChemicalName
H-Phg-OtBu HCl
CasNumber
161879-12-5
MolecularFormula
C12H18ClNO2
MolecularWeight
243.7298
MdlNumber
MFCD00153456
Smiles
N[C@@H](c1ccccc1)C(=O)OC(C)(C)C.Cl
Complexity
214
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AA87864
ChemicalName: H-Phg-OtBu HCl
CasNumber: 161879-12-5
MolecularFormula: C12H18ClNO2
MolecularWeight: 243.7298
MdlNumber: MFCD00153456
Smiles: N[C@@H](c1ccccc1)C(=O)OC(C)(C)C.Cl
Complexity: 214
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AA87864
ChemicalName:
H-Phg-OtBu HCl
CasNumber:
161879-12-5
MolecularFormula:
C12H18ClNO2
MolecularWeight:
243.7298
MdlNumber:
MFCD00153456
Smiles:
N[C@@H](c1ccccc1)C(=O)OC(C)(C)C.Cl
Complexity:
214
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
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MolecularFormula: __
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Smiles: OC(=O)C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O)C(C)C)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)Cc1ccc(cc1)O)C
Complexity: __
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Smiles:
OC(=O)C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O)C(C)C)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)Cc1ccc(cc1)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
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Smiles: CCc1ccc(c(c1)O)C=O
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ChemicalName:
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Smiles:
CCc1ccc(c(c1)O)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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CatalogNumber: __
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Smiles: Cc1nc2ncccc2c(n1)Cl
Complexity: __
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CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1nc2ncccc2c(n1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__