AI13127
1206724-39-1 | Ethyl 4-(butylamino)-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI13127
ChemicalName
Ethyl 4-(butylamino)-3-nitrobenzoate
CasNumber
1206724-39-1
MolecularFormula
C13H18N2O4
MolecularWeight
266.293
MdlNumber
MFCD28962778
Smiles
CCCCNc1ccc(cc1[N+](=O)[O-])C(=O)OCC
Complexity
304
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
3.8
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CatalogNumber: AI13127
ChemicalName: Ethyl 4-(butylamino)-3-nitrobenzoate
CasNumber: 1206724-39-1
MolecularFormula: C13H18N2O4
MolecularWeight: 266.293
MdlNumber: MFCD28962778
Smiles: CCCCNc1ccc(cc1[N+](=O)[O-])C(=O)OCC
Complexity: 304
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 3.8
CatalogNumber:
AI13127
ChemicalName:
Ethyl 4-(butylamino)-3-nitrobenzoate
CasNumber:
1206724-39-1
MolecularFormula:
C13H18N2O4
MolecularWeight:
266.293
MdlNumber:
MFCD28962778
Smiles:
CCCCNc1ccc(cc1[N+](=O)[O-])C(=O)OCC
Complexity:
304
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
3.8
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Smiles: N#Cc1cc(ccc1Br)NS(=O)(=O)C
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Smiles:
N#Cc1cc(ccc1Br)NS(=O)(=O)C
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Fc1cnc(c(c1)B(O)O)OCc1ccccc1
Complexity: 252
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Fc1cnc(c(c1)B(O)O)OCc1ccccc1
Complexity:
252
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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