AG79872
597562-38-4 | Methyl 3-(butylamino)-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG79872
ChemicalName
Methyl 3-(butylamino)-4-nitrobenzoate
CasNumber
597562-38-4
MolecularFormula
C12H16N2O4
MolecularWeight
252.2664
MdlNumber
MFCD22689082
Smiles
CCCCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
3.4
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CatalogNumber: AG79872
ChemicalName: Methyl 3-(butylamino)-4-nitrobenzoate
CasNumber: 597562-38-4
MolecularFormula: C12H16N2O4
MolecularWeight: 252.2664
MdlNumber: MFCD22689082
Smiles: CCCCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 3.4
CatalogNumber:
AG79872
ChemicalName:
Methyl 3-(butylamino)-4-nitrobenzoate
CasNumber:
597562-38-4
MolecularFormula:
C12H16N2O4
MolecularWeight:
252.2664
MdlNumber:
MFCD22689082
Smiles:
CCCCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
3.4
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Smiles: CCC(=O)NCc1ccc(cc1)Cl
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CCC(=O)NCc1ccc(cc1)Cl
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RotatableBondCount:
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Smiles: ClC(=O)C(=O)C
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Smiles:
ClC(=O)C(=O)C
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCc1cc(Cl)nc(n1)Cl
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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:
CCc1cc(Cl)nc(n1)Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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