AC83289
67852-98-6 | Methyl 4-(tert-butylcarbamoyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AC83289
ChemicalName
Methyl 4-(tert-butylcarbamoyl)benzoate
CasNumber
67852-98-6
MolecularFormula
C13H17NO3
MolecularWeight
235.279
MdlNumber
MFCD09418546
Smiles
COC(=O)c1ccc(cc1)C(=O)NC(C)(C)C
Complexity
286
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AC83289
ChemicalName: Methyl 4-(tert-butylcarbamoyl)benzoate
CasNumber: 67852-98-6
MolecularFormula: C13H17NO3
MolecularWeight: 235.279
MdlNumber: MFCD09418546
Smiles: COC(=O)c1ccc(cc1)C(=O)NC(C)(C)C
Complexity: 286
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AC83289
ChemicalName:
Methyl 4-(tert-butylcarbamoyl)benzoate
CasNumber:
67852-98-6
MolecularFormula:
C13H17NO3
MolecularWeight:
235.279
MdlNumber:
MFCD09418546
Smiles:
COC(=O)c1ccc(cc1)C(=O)NC(C)(C)C
Complexity:
286
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5
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Smiles: COc1nc(OC)c(cc1[N+](=O)[O-])C(=O)O
Complexity: __
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Smiles:
COc1nc(OC)c(cc1[N+](=O)[O-])C(=O)O
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: OC(=O)c1ccc2c(c1)c1CC(CCc1[nH]2)C(C)(C)C
Complexity: __
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HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)c1ccc2c(c1)c1CC(CCc1[nH]2)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCN(S(=O)(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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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:
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MdlNumber:
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Smiles:
CCN(S(=O)(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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