AE62699
1240574-64-4 | 1-Butyl-4-nitropyrazole
Manufacturer: A2B Chem
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CatalogNumber
AE62699
ChemicalName
1-Butyl-4-nitropyrazole
CasNumber
1240574-64-4
MolecularFormula
C7H11N3O2
MolecularWeight
169.1811
MdlNumber
MFCD16810712
Smiles
[O-][N+](=O)c1cn(nc1)CCCC
Complexity
157
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AE62699
ChemicalName: 1-Butyl-4-nitropyrazole
CasNumber: 1240574-64-4
MolecularFormula: C7H11N3O2
MolecularWeight: 169.1811
MdlNumber: MFCD16810712
Smiles: [O-][N+](=O)c1cn(nc1)CCCC
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AE62699
ChemicalName:
1-Butyl-4-nitropyrazole
CasNumber:
1240574-64-4
MolecularFormula:
C7H11N3O2
MolecularWeight:
169.1811
MdlNumber:
MFCD16810712
Smiles:
[O-][N+](=O)c1cn(nc1)CCCC
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AE62700
ChemicalName: 2-Chloro-3,4-dimethoxy-1-nitrobenzene
CasNumber: 1393442-37-9
MolecularFormula: C8H8ClNO4
MolecularWeight: 217.6064
MdlNumber: MFCD22383662
Smiles: COc1c(OC)ccc(c1Cl)[N+](=O)[O-]
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AE62700
ChemicalName:
2-Chloro-3,4-dimethoxy-1-nitrobenzene
CasNumber:
1393442-37-9
MolecularFormula:
C8H8ClNO4
MolecularWeight:
217.6064
MdlNumber:
MFCD22383662
Smiles:
COc1c(OC)ccc(c1Cl)[N+](=O)[O-]
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: AE62701
ChemicalName: N-Ethyl L-Z-Valinamide
CasNumber: 1381929-59-4
MolecularFormula: C15H22N2O3
MolecularWeight: 278.3468
MdlNumber: MFCD22375087
Smiles: CCNC(=O)C(C(C)C)NC(=O)OCc1ccccc1
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 7
Xlogp3: 1.6
CatalogNumber:
AE62701
ChemicalName:
N-Ethyl L-Z-Valinamide
CasNumber:
1381929-59-4
MolecularFormula:
C15H22N2O3
MolecularWeight:
278.3468
MdlNumber:
MFCD22375087
Smiles:
CCNC(=O)C(C(C)C)NC(=O)OCc1ccccc1
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
7
Xlogp3:
1.6
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Smiles: [O-][N+](=O)c1cnn(c1)C1CCCC1
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Smiles:
[O-][N+](=O)c1cnn(c1)C1CCCC1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Xlogp3:
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