AA34039
120157-96-2 | Methyl 4-((tert-butoxycarbonylamino) methyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA34039
ChemicalName
Methyl 4-((tert-butoxycarbonylamino) methyl)benzoate
CasNumber
120157-96-2
MolecularFormula
C14H19NO4
MolecularWeight
265.305
MdlNumber
MFCD11870086
Smiles
COC(=O)c1ccc(cc1)CNC(=O)OC(C)(C)C
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2.3
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CatalogNumber: AA34039
ChemicalName: Methyl 4-((tert-butoxycarbonylamino) methyl)benzoate
CasNumber: 120157-96-2
MolecularFormula: C14H19NO4
MolecularWeight: 265.305
MdlNumber: MFCD11870086
Smiles: COC(=O)c1ccc(cc1)CNC(=O)OC(C)(C)C
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.3
CatalogNumber:
AA34039
ChemicalName:
Methyl 4-((tert-butoxycarbonylamino) methyl)benzoate
CasNumber:
120157-96-2
MolecularFormula:
C14H19NO4
MolecularWeight:
265.305
MdlNumber:
MFCD11870086
Smiles:
COC(=O)c1ccc(cc1)CNC(=O)OC(C)(C)C
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.3
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Smiles: [O-]C(=CC(=O)C(F)(F)F)C(F)(F)F.[O-]C(=CC(=O)C(F)(F)F)C(F)(F)F.[Mg+2].O.O
Complexity: __
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Smiles:
[O-]C(=CC(=O)C(F)(F)F)C(F)(F)F.[O-]C(=CC(=O)C(F)(F)F)C(F)(F)F.[Mg+2].O.O
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC1=[O][Ni+2]2([O]=C([CH-]1)C)[O]=C(C)[CH-]C(=[O]2)C.O
Complexity: __
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Smiles:
CC1=[O][Ni+2]2([O]=C([CH-]1)C)[O]=C(C)[CH-]C(=[O]2)C.O
Complexity:
__
Covalently-bondedUnitCount:
__
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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Smiles: CCOC(=O)Cc1cscn1
Complexity: __
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HydrogenBondAcceptorCount: __
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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:
CCOC(=O)Cc1cscn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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