AI52774
56935-76-3 | 4-(2,2,2-Trifluoroethoxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI52774
ChemicalName
4-(2,2,2-Trifluoroethoxy)benzonitrile
CasNumber
56935-76-3
MolecularFormula
C9H6F3NO
MolecularWeight
201.1452
MdlNumber
MFCD00511903
Smiles
N#Cc1ccc(cc1)OCC(F)(F)F
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AI52774
ChemicalName: 4-(2,2,2-Trifluoroethoxy)benzonitrile
CasNumber: 56935-76-3
MolecularFormula: C9H6F3NO
MolecularWeight: 201.1452
MdlNumber: MFCD00511903
Smiles: N#Cc1ccc(cc1)OCC(F)(F)F
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AI52774
ChemicalName:
4-(2,2,2-Trifluoroethoxy)benzonitrile
CasNumber:
56935-76-3
MolecularFormula:
C9H6F3NO
MolecularWeight:
201.1452
MdlNumber:
MFCD00511903
Smiles:
N#Cc1ccc(cc1)OCC(F)(F)F
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AI52775
ChemicalName: 3-Formyl-5-(trifluoromethyl)benzonitrile
CasNumber: 569370-39-4
MolecularFormula: C9H4F3NO
MolecularWeight: 199.1294
MdlNumber: MFCD22544347
Smiles: O=Cc1cc(C#N)cc(c1)C(F)(F)F
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AI52775
ChemicalName:
3-Formyl-5-(trifluoromethyl)benzonitrile
CasNumber:
569370-39-4
MolecularFormula:
C9H4F3NO
MolecularWeight:
199.1294
MdlNumber:
MFCD22544347
Smiles:
O=Cc1cc(C#N)cc(c1)C(F)(F)F
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
2
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Smiles: Clc1sc(c(c1)S(=O)(=O)Cl)Cl
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Smiles:
Clc1sc(c(c1)S(=O)(=O)Cl)Cl
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Smiles: ClCC1OCCCO1
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Smiles:
ClCC1OCCCO1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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