AE62609
1426958-46-4 | 1-(3-Methylbutyl)-3-(trifluoromethyl)pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AE62609
ChemicalName
1-(3-Methylbutyl)-3-(trifluoromethyl)pyrazole
CasNumber
1426958-46-4
MolecularFormula
C9H13F3N2
MolecularWeight
206.2081
MdlNumber
MFCD21668301
Smiles
CC(CCn1ccc(n1)C(F)(F)F)C
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AE62609
ChemicalName: 1-(3-Methylbutyl)-3-(trifluoromethyl)pyrazole
CasNumber: 1426958-46-4
MolecularFormula: C9H13F3N2
MolecularWeight: 206.2081
MdlNumber: MFCD21668301
Smiles: CC(CCn1ccc(n1)C(F)(F)F)C
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AE62609
ChemicalName:
1-(3-Methylbutyl)-3-(trifluoromethyl)pyrazole
CasNumber:
1426958-46-4
MolecularFormula:
C9H13F3N2
MolecularWeight:
206.2081
MdlNumber:
MFCD21668301
Smiles:
CC(CCn1ccc(n1)C(F)(F)F)C
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AE62610
ChemicalName: 2-Bromo-6-(phenylamino)benzonitrile
CasNumber: 1365272-75-8
MolecularFormula: C13H9BrN2
MolecularWeight: 273.128
MdlNumber: MFCD21609675
Smiles: N#Cc1c(cccc1Br)Nc1ccccc1
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 4.4
CatalogNumber:
AE62610
ChemicalName:
2-Bromo-6-(phenylamino)benzonitrile
CasNumber:
1365272-75-8
MolecularFormula:
C13H9BrN2
MolecularWeight:
273.128
MdlNumber:
MFCD21609675
Smiles:
N#Cc1c(cccc1Br)Nc1ccccc1
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
4.4
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MolecularFormula: __
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Smiles: CC([Si](n1ccc2c1ncc(c2I)C(F)(F)F)(C(C)C)C(C)C)C
Complexity: 420
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MdlNumber:
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Smiles:
CC([Si](n1ccc2c1ncc(c2I)C(F)(F)F)(C(C)C)C(C)C)C
Complexity:
420
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: NCCc1ccccc1Br.Cl
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NCCc1ccccc1Br.Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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