AI36021
1448684-44-3 | Ethyl 2-(2-bromophenyl)-5-methylpyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI36021
ChemicalName
Ethyl 2-(2-bromophenyl)-5-methylpyrazole-3-carboxylate
CasNumber
1448684-44-3
MolecularFormula
C13H13BrN2O2
MolecularWeight
309.1585
MdlNumber
MFCD27935907
Smiles
CCOC(=O)c1cc(nn1c1ccccc1Br)C
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
3.5
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CatalogNumber: AI36021
ChemicalName: Ethyl 2-(2-bromophenyl)-5-methylpyrazole-3-carboxylate
CasNumber: 1448684-44-3
MolecularFormula: C13H13BrN2O2
MolecularWeight: 309.1585
MdlNumber: MFCD27935907
Smiles: CCOC(=O)c1cc(nn1c1ccccc1Br)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AI36021
ChemicalName:
Ethyl 2-(2-bromophenyl)-5-methylpyrazole-3-carboxylate
CasNumber:
1448684-44-3
MolecularFormula:
C13H13BrN2O2
MolecularWeight:
309.1585
MdlNumber:
MFCD27935907
Smiles:
CCOC(=O)c1cc(nn1c1ccccc1Br)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: AI36022
ChemicalName: 2-(2-Bromophenyl)-5-methylpyrazole-3-carboxylic acid
CasNumber: 1448684-51-2
MolecularFormula: C11H9BrN2O2
MolecularWeight: 281.1054
MdlNumber: MFCD26611809
Smiles: Cc1nn(c(c1)C(=O)O)c1ccccc1Br
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AI36022
ChemicalName:
2-(2-Bromophenyl)-5-methylpyrazole-3-carboxylic acid
CasNumber:
1448684-51-2
MolecularFormula:
C11H9BrN2O2
MolecularWeight:
281.1054
MdlNumber:
MFCD26611809
Smiles:
Cc1nn(c(c1)C(=O)O)c1ccccc1Br
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Brc1cccc(c1)n1nc(cc1C(=O)O)C
Complexity: 275
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.8
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MolecularFormula:
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Smiles:
Brc1cccc(c1)n1nc(cc1C(=O)O)C
Complexity:
275
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
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Smiles: OC[C@H]1C[C@@H](CN1C(=O)OCc1ccccc1)O
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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:
OC[C@H]1C[C@@H](CN1C(=O)OCc1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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