AA86588
164596-20-7 | Methyl 4-(BOC-amino)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA86588
ChemicalName
Methyl 4-(BOC-amino)benzoate
CasNumber
164596-20-7
MolecularFormula
C13H17NO4
MolecularWeight
251.2784
MdlNumber
MFCD12488174
Smiles
COC(=O)c1ccc(cc1)NC(=O)OC(C)(C)C
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.2
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CatalogNumber: AA86588
ChemicalName: Methyl 4-(BOC-amino)benzoate
CasNumber: 164596-20-7
MolecularFormula: C13H17NO4
MolecularWeight: 251.2784
MdlNumber: MFCD12488174
Smiles: COC(=O)c1ccc(cc1)NC(=O)OC(C)(C)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.2
CatalogNumber:
AA86588
ChemicalName:
Methyl 4-(BOC-amino)benzoate
CasNumber:
164596-20-7
MolecularFormula:
C13H17NO4
MolecularWeight:
251.2784
MdlNumber:
MFCD12488174
Smiles:
COC(=O)c1ccc(cc1)NC(=O)OC(C)(C)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: FC(S(=O)(=O)[O-])(F)F.C[Si](c1ccccc1[I+]c1ccccc1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
FC(S(=O)(=O)[O-])(F)F.C[Si](c1ccccc1[I+]c1ccccc1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Fc1cccc(c1c1nc2c([nH]1)cccc2)F
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
Fc1cccc(c1c1nc2c([nH]1)cccc2)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OCCC[C@@H](CCCl)C
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OCCC[C@@H](CCCl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__