AG70946
56935-79-6 | 4-(3,5-Dimethylpyrazol-1-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AG70946
ChemicalName
4-(3,5-Dimethylpyrazol-1-yl)benzonitrile
CasNumber
56935-79-6
MolecularFormula
C12H11N3
MolecularWeight
197.2358
MdlNumber
MFCD09817559
Smiles
N#Cc1ccc(cc1)n1nc(cc1C)C
Complexity
259
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AG70946
ChemicalName: 4-(3,5-Dimethylpyrazol-1-yl)benzonitrile
CasNumber: 56935-79-6
MolecularFormula: C12H11N3
MolecularWeight: 197.2358
MdlNumber: MFCD09817559
Smiles: N#Cc1ccc(cc1)n1nc(cc1C)C
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AG70946
ChemicalName:
4-(3,5-Dimethylpyrazol-1-yl)benzonitrile
CasNumber:
56935-79-6
MolecularFormula:
C12H11N3
MolecularWeight:
197.2358
MdlNumber:
MFCD09817559
Smiles:
N#Cc1ccc(cc1)n1nc(cc1C)C
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc2c1cccc2S(=O)(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Clc1cccc2c1cccc2S(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG70948
ChemicalName: 2-(3-Chlorophenyl)-2-methylpropanoic acid
CasNumber: 64798-35-2
MolecularFormula: C10H11ClO2
MolecularWeight: 198.6461
MdlNumber: MFCD11036925
Smiles: Clc1cccc(c1)C(C(=O)O)(C)C
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AG70948
ChemicalName:
2-(3-Chlorophenyl)-2-methylpropanoic acid
CasNumber:
64798-35-2
MolecularFormula:
C10H11ClO2
MolecularWeight:
198.6461
MdlNumber:
MFCD11036925
Smiles:
Clc1cccc(c1)C(C(=O)O)(C)C
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cccc(c1)CN1CCN(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1cccc(c1)CN1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__