AI52775
569370-39-4 | 3-Formyl-5-(trifluoromethyl)benzonitrile
Manufacturer: A2B Chem
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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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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
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: Clc1sc(c(c1)S(=O)(=O)Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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:
Clc1sc(c(c1)S(=O)(=O)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MdlNumber: __
Smiles: ClCC1OCCCO1
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MolecularFormula:
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Smiles:
ClCC1OCCCO1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(n1)N)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(n1)N)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__