AA03008
100610-03-5 | Methyl 4-(butylcarbamoyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA03008
ChemicalName
Methyl 4-(butylcarbamoyl)benzoate
CasNumber
100610-03-5
MolecularFormula
C13H17NO3
MolecularWeight
235.279
MdlNumber
MFCD09418666
Smiles
CCCCNC(=O)c1ccc(cc1)C(=O)OC
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2.3
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CatalogNumber: AA03008
ChemicalName: Methyl 4-(butylcarbamoyl)benzoate
CasNumber: 100610-03-5
MolecularFormula: C13H17NO3
MolecularWeight: 235.279
MdlNumber: MFCD09418666
Smiles: CCCCNC(=O)c1ccc(cc1)C(=O)OC
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.3
CatalogNumber:
AA03008
ChemicalName:
Methyl 4-(butylcarbamoyl)benzoate
CasNumber:
100610-03-5
MolecularFormula:
C13H17NO3
MolecularWeight:
235.279
MdlNumber:
MFCD09418666
Smiles:
CCCCNC(=O)c1ccc(cc1)C(=O)OC
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC1(COC(=O)Nc2ccccc2)COC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC1(COC(=O)Nc2ccccc2)COC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA03013
ChemicalName: [2-(3-Bromophenoxy)ethyl](methyl)amine
CasNumber: 100607-15-6
MolecularFormula: C9H12BrNO
MolecularWeight: 230.1017
MdlNumber: MFCD08691788
Smiles: CNCCOc1cccc(c1)Br
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AA03013
ChemicalName:
[2-(3-Bromophenoxy)ethyl](methyl)amine
CasNumber:
100607-15-6
MolecularFormula:
C9H12BrNO
MolecularWeight:
230.1017
MdlNumber:
MFCD08691788
Smiles:
CNCCOc1cccc(c1)Br
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=N)COc1ccc(cc1Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=N)COc1ccc(cc1Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__