AB63176
59843-69-5 | 3-(3-Chlorophenyl)-1H-pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AB63176
ChemicalName
3-(3-Chlorophenyl)-1H-pyrazole
CasNumber
59843-69-5
MolecularFormula
C9H7ClN2
MolecularWeight
178.6183
MdlNumber
MFCD09860599
Smiles
Clc1cccc(c1)c1ccn[nH]1
Complexity
152
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AB63176
ChemicalName: 3-(3-Chlorophenyl)-1H-pyrazole
CasNumber: 59843-69-5
MolecularFormula: C9H7ClN2
MolecularWeight: 178.6183
MdlNumber: MFCD09860599
Smiles: Clc1cccc(c1)c1ccn[nH]1
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB63176
ChemicalName:
3-(3-Chlorophenyl)-1H-pyrazole
CasNumber:
59843-69-5
MolecularFormula:
C9H7ClN2
MolecularWeight:
178.6183
MdlNumber:
MFCD09860599
Smiles:
Clc1cccc(c1)c1ccn[nH]1
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AB63177
ChemicalName: 3-(3-Chloro-phenyl)-3-cyano-2-oxo-propionic acid ethyl ester
CasNumber: 38747-02-3
MolecularFormula: C12H10ClNO3
MolecularWeight: 251.6657
MdlNumber: MFCD16327924
Smiles: CCOC(=O)C(=O)C(c1cccc(c1)Cl)C#N
Complexity: 347
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AB63177
ChemicalName:
3-(3-Chloro-phenyl)-3-cyano-2-oxo-propionic acid ethyl ester
CasNumber:
38747-02-3
MolecularFormula:
C12H10ClNO3
MolecularWeight:
251.6657
MdlNumber:
MFCD16327924
Smiles:
CCOC(=O)C(=O)C(c1cccc(c1)Cl)C#N
Complexity:
347
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2.6
CatalogNumber: AB63178
ChemicalName: 3-(3-Cyanophenyl)-acrylic acid methyl ester
CasNumber: 52116-81-1
MolecularFormula: C11H9NO2
MolecularWeight: 187.1947
MdlNumber: MFCD08064268
Smiles: COC(=O)/C=C/c1cccc(c1)C#N
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB63178
ChemicalName:
3-(3-Cyanophenyl)-acrylic acid methyl ester
CasNumber:
52116-81-1
MolecularFormula:
C11H9NO2
MolecularWeight:
187.1947
MdlNumber:
MFCD08064268
Smiles:
COC(=O)/C=C/c1cccc(c1)C#N
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCCNC1CC1
Complexity: 107
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCCNC1CC1
Complexity:
107
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6