AE25300
1155066-35-5 | 3-(3,5-Dimethylpyrazol-1-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE25300
ChemicalName
3-(3,5-Dimethylpyrazol-1-yl)benzonitrile
CasNumber
1155066-35-5
MolecularFormula
C12H11N3
MolecularWeight
197.2358
MdlNumber
MFCD12134526
Smiles
N#Cc1cccc(c1)n1nc(cc1C)C
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AE25300
ChemicalName: 3-(3,5-Dimethylpyrazol-1-yl)benzonitrile
CasNumber: 1155066-35-5
MolecularFormula: C12H11N3
MolecularWeight: 197.2358
MdlNumber: MFCD12134526
Smiles: N#Cc1cccc(c1)n1nc(cc1C)C
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AE25300
ChemicalName:
3-(3,5-Dimethylpyrazol-1-yl)benzonitrile
CasNumber:
1155066-35-5
MolecularFormula:
C12H11N3
MolecularWeight:
197.2358
MdlNumber:
MFCD12134526
Smiles:
N#Cc1cccc(c1)n1nc(cc1C)C
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc(c(c1)N)NC(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc(c(c1)N)NC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCNC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 302
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCNC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
302
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: AE25305
ChemicalName: 1-Methoxy-3-(4-nitrophenyl)benzene
CasNumber: 107624-96-4
MolecularFormula: C13H11NO3
MolecularWeight: 229.2313
MdlNumber: MFCD09909441
Smiles: COc1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AE25305
ChemicalName:
1-Methoxy-3-(4-nitrophenyl)benzene
CasNumber:
107624-96-4
MolecularFormula:
C13H11NO3
MolecularWeight:
229.2313
MdlNumber:
MFCD09909441
Smiles:
COc1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.8