AH72862
84328-66-5 | 3-(2,2,2-Trifluoroethoxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AH72862
ChemicalName
3-(2,2,2-Trifluoroethoxy)benzonitrile
CasNumber
84328-66-5
MolecularFormula
C9H6F3NO
MolecularWeight
201.1452
MdlNumber
MFCD09907644
Smiles
N#Cc1cccc(c1)OCC(F)(F)F
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AH72862
ChemicalName: 3-(2,2,2-Trifluoroethoxy)benzonitrile
CasNumber: 84328-66-5
MolecularFormula: C9H6F3NO
MolecularWeight: 201.1452
MdlNumber: MFCD09907644
Smiles: N#Cc1cccc(c1)OCC(F)(F)F
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AH72862
ChemicalName:
3-(2,2,2-Trifluoroethoxy)benzonitrile
CasNumber:
84328-66-5
MolecularFormula:
C9H6F3NO
MolecularWeight:
201.1452
MdlNumber:
MFCD09907644
Smiles:
N#Cc1cccc(c1)OCC(F)(F)F
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.7
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Smiles: O=Cc1ccc(cc1)OC(=S)N(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
O=Cc1ccc(cc1)OC(=S)N(C)C
Complexity:
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__
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__
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__
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Smiles: C1C(C(OC1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N=[N+]=[N-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
C1C(C(OC1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N=[N+]=[N-]
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].[Al+3]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].[Al+3]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__