AD27094
21597-54-6 | Methyl 3-aminonaphthalene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD27094
ChemicalName
Methyl 3-aminonaphthalene-2-carboxylate
CasNumber
21597-54-6
MolecularFormula
C12H11NO2
MolecularWeight
201.2212
MdlNumber
MFCD03425257
Smiles
COC(=O)c1cc2ccccc2cc1N
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AD27094
ChemicalName: Methyl 3-aminonaphthalene-2-carboxylate
CasNumber: 21597-54-6
MolecularFormula: C12H11NO2
MolecularWeight: 201.2212
MdlNumber: MFCD03425257
Smiles: COC(=O)c1cc2ccccc2cc1N
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AD27094
ChemicalName:
Methyl 3-aminonaphthalene-2-carboxylate
CasNumber:
21597-54-6
MolecularFormula:
C12H11NO2
MolecularWeight:
201.2212
MdlNumber:
MFCD03425257
Smiles:
COC(=O)c1cc2ccccc2cc1N
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
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Smiles: BrC1=C(CSS(=O)(=O)C)C(N(C1(C)C)O)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
BrC1=C(CSS(=O)(=O)C)C(N(C1(C)C)O)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CCOC(=O)OC(=O)C1=C(Br)C(N(C1(C)C)[O-])(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
CCOC(=O)OC(=O)C1=C(Br)C(N(C1(C)C)[O-])(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: ClC(=O)c1ccc2c(c1)[nH]cc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
ClC(=O)c1ccc2c(c1)[nH]cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__