AF87922
385831-39-0 | Ethyl 1-(4-bromophenyl)-3-methyl-1H-pyrazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF87922
ChemicalName
Ethyl 1-(4-bromophenyl)-3-methyl-1H-pyrazole-5-carboxylate
CasNumber
385831-39-0
MolecularFormula
C13H13BrN2O2
MolecularWeight
309.1585
MdlNumber
MFCD06408987
Smiles
CCOC(=O)c1cc(nn1c1ccc(cc1)Br)C
Complexity
293
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
3.5
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CatalogNumber: AF87922
ChemicalName: Ethyl 1-(4-bromophenyl)-3-methyl-1H-pyrazole-5-carboxylate
CasNumber: 385831-39-0
MolecularFormula: C13H13BrN2O2
MolecularWeight: 309.1585
MdlNumber: MFCD06408987
Smiles: CCOC(=O)c1cc(nn1c1ccc(cc1)Br)C
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AF87922
ChemicalName:
Ethyl 1-(4-bromophenyl)-3-methyl-1H-pyrazole-5-carboxylate
CasNumber:
385831-39-0
MolecularFormula:
C13H13BrN2O2
MolecularWeight:
309.1585
MdlNumber:
MFCD06408987
Smiles:
CCOC(=O)c1cc(nn1c1ccc(cc1)Br)C
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: AF87923
ChemicalName: 2-Fluoro-4-(6-methoxypyridin-3-yl)benzoic acid
CasNumber: 370864-61-2
MolecularFormula: C13H10FNO3
MolecularWeight: 247.2218
MdlNumber: MFCD16240297
Smiles: COc1ccc(cn1)c1ccc(c(c1)F)C(=O)O
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AF87923
ChemicalName:
2-Fluoro-4-(6-methoxypyridin-3-yl)benzoic acid
CasNumber:
370864-61-2
MolecularFormula:
C13H10FNO3
MolecularWeight:
247.2218
MdlNumber:
MFCD16240297
Smiles:
COc1ccc(cn1)c1ccc(c(c1)F)C(=O)O
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: AF87925
ChemicalName: 4-(4-Fluorophenyl)nicotinic acid
CasNumber: 32923-72-1
MolecularFormula: C12H8FNO2
MolecularWeight: 217.1958
MdlNumber: MFCD18207551
Smiles: Fc1ccc(cc1)c1ccncc1C(=O)O
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AF87925
ChemicalName:
4-(4-Fluorophenyl)nicotinic acid
CasNumber:
32923-72-1
MolecularFormula:
C12H8FNO2
MolecularWeight:
217.1958
MdlNumber:
MFCD18207551
Smiles:
Fc1ccc(cc1)c1ccncc1C(=O)O
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.1
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Smiles: OB(c1ccc(cc1C(F)(F)F)[N+](=O)[O-])O
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OB(c1ccc(cc1C(F)(F)F)[N+](=O)[O-])O
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HydrogenBondAcceptorCount:
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