AB21260
229648-45-7 | Methyl 4-(isopropylcarbamoyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB21260
ChemicalName
Methyl 4-(isopropylcarbamoyl)benzoate
CasNumber
229648-45-7
MolecularFormula
C12H15NO3
MolecularWeight
221.2524
MdlNumber
MFCD09418569
Smiles
COC(=O)c1ccc(cc1)C(=O)NC(C)C
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AB21260
ChemicalName: Methyl 4-(isopropylcarbamoyl)benzoate
CasNumber: 229648-45-7
MolecularFormula: C12H15NO3
MolecularWeight: 221.2524
MdlNumber: MFCD09418569
Smiles: COC(=O)c1ccc(cc1)C(=O)NC(C)C
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AB21260
ChemicalName:
Methyl 4-(isopropylcarbamoyl)benzoate
CasNumber:
229648-45-7
MolecularFormula:
C12H15NO3
MolecularWeight:
221.2524
MdlNumber:
MFCD09418569
Smiles:
COC(=O)c1ccc(cc1)C(=O)NC(C)C
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.3
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Smiles: CCCCCCCCCCCCCCCC(=O)SC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: __
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Smiles:
CCCCCCCCCCCCCCCC(=O)SC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
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Smiles: Clc1ccc(cc1)C(=O)/C=C/c1ccccc1
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Smiles:
Clc1ccc(cc1)C(=O)/C=C/c1ccccc1
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Smiles: O=C(c1ccccc1)/C=C/c1ccccc1Cl
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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MolecularFormula:
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Smiles:
O=C(c1ccccc1)/C=C/c1ccccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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