AB18680
208511-67-5 | 3-(4-Carboxyphenyl)pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AB18680
ChemicalName
3-(4-Carboxyphenyl)pyrazole
CasNumber
208511-67-5
MolecularFormula
C10H8N2O2
MolecularWeight
188.1827
MdlNumber
MFCD01569442
Smiles
OC(=O)c1ccc(cc1)c1n[nH]cc1
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB18680
ChemicalName: 3-(4-Carboxyphenyl)pyrazole
CasNumber: 208511-67-5
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD01569442
Smiles: OC(=O)c1ccc(cc1)c1n[nH]cc1
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB18680
ChemicalName:
3-(4-Carboxyphenyl)pyrazole
CasNumber:
208511-67-5
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD01569442
Smiles:
OC(=O)c1ccc(cc1)c1n[nH]cc1
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc2c1c(Cl)c[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc2c1c(Cl)c[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1nc[nH]c1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1nc[nH]c1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB18687
ChemicalName: 3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile
CasNumber: 20850-49-1
MolecularFormula: C13H17NO2
MolecularWeight: 219.2796
MdlNumber: MFCD00017563
Smiles: N#CC(c1ccc(c(c1)OC)OC)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB18687
ChemicalName:
3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile
CasNumber:
20850-49-1
MolecularFormula:
C13H17NO2
MolecularWeight:
219.2796
MdlNumber:
MFCD00017563
Smiles:
N#CC(c1ccc(c(c1)OC)OC)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__