AA45359
129477-21-0 | Ethyl 5-bromo-2-methylpyridine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA45359
ChemicalName
Ethyl 5-bromo-2-methylpyridine-3-carboxylate
CasNumber
129477-21-0
MolecularFormula
C9H10BrNO2
MolecularWeight
244.0852
MdlNumber
MFCD10698571
Smiles
Cc1ncc(cc1C(=O)OCC)Br
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AA45359
ChemicalName: Ethyl 5-bromo-2-methylpyridine-3-carboxylate
CasNumber: 129477-21-0
MolecularFormula: C9H10BrNO2
MolecularWeight: 244.0852
MdlNumber: MFCD10698571
Smiles: Cc1ncc(cc1C(=O)OCC)Br
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AA45359
ChemicalName:
Ethyl 5-bromo-2-methylpyridine-3-carboxylate
CasNumber:
129477-21-0
MolecularFormula:
C9H10BrNO2
MolecularWeight:
244.0852
MdlNumber:
MFCD10698571
Smiles:
Cc1ncc(cc1C(=O)OCC)Br
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: AA45362
ChemicalName: N-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1h-pyrazol-4-yl)-2,2,2-trifluoroacetamide
CasNumber: 129476-61-5
MolecularFormula: C13H12F3N3O2
MolecularWeight: 299.2485
MdlNumber: MFCD00574858
Smiles: O=C(C(F)(F)F)Nc1c(C)n(n(c1=O)c1ccccc1)C
Complexity: 482
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AA45362
ChemicalName:
N-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1h-pyrazol-4-yl)-2,2,2-trifluoroacetamide
CasNumber:
129476-61-5
MolecularFormula:
C13H12F3N3O2
MolecularWeight:
299.2485
MdlNumber:
MFCD00574858
Smiles:
O=C(C(F)(F)F)Nc1c(C)n(n(c1=O)c1ccccc1)C
Complexity:
482
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AA45368
ChemicalName: 2-(Benzyloxy)-4-fluoro-1-nitrobenzene
CasNumber: 129464-01-3
MolecularFormula: C13H10FNO3
MolecularWeight: 247.22180320000007
MdlNumber: MFCD20441777
Smiles: Fc1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-]
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AA45368
ChemicalName:
2-(Benzyloxy)-4-fluoro-1-nitrobenzene
CasNumber:
129464-01-3
MolecularFormula:
C13H10FNO3
MolecularWeight:
247.22180320000007
MdlNumber:
MFCD20441777
Smiles:
Fc1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-]
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.3
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Smiles: OC[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)OCC(C[C@]([C@@H]([C@@H](C=O)O)O)([C@@H](CO)O)O)NC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
OC[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)OCC(C[C@]([C@@H]([C@@H](C=O)O)O)([C@@H](CO)O)O)NC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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