AD51518
152628-01-8 | Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD51518
ChemicalName
Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate
CasNumber
152628-01-8
MolecularFormula
C13H16N2O5
MolecularWeight
280.2765
MdlNumber
MFCD08062447
Smiles
CCCC(=O)Nc1c(C)cc(cc1[N+](=O)[O-])C(=O)OC
Complexity
379
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.5
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CatalogNumber: AD51518
ChemicalName: Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate
CasNumber: 152628-01-8
MolecularFormula: C13H16N2O5
MolecularWeight: 280.2765
MdlNumber: MFCD08062447
Smiles: CCCC(=O)Nc1c(C)cc(cc1[N+](=O)[O-])C(=O)OC
Complexity: 379
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AD51518
ChemicalName:
Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate
CasNumber:
152628-01-8
MolecularFormula:
C13H16N2O5
MolecularWeight:
280.2765
MdlNumber:
MFCD08062447
Smiles:
CCCC(=O)Nc1c(C)cc(cc1[N+](=O)[O-])C(=O)OC
Complexity:
379
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.5
CatalogNumber: __
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Smiles: COc1cc(N)c(cc1Br)C
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Smiles:
COc1cc(N)c(cc1Br)C
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Smiles: O=C1CC[C@@]2(C(=C1)C=C[C@@H]1[C@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C
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Smiles:
O=C1CC[C@@]2(C(=C1)C=C[C@@H]1[C@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C
Complexity:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OC(=O)C1NCSC1(C)C
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HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C1NCSC1(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__