AF71522
38675-82-0 | 3-(Cyclopropylcarbonyl)benzotrifluoride
Manufacturer: A2B Chem
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CatalogNumber
AF71522
ChemicalName
3-(Cyclopropylcarbonyl)benzotrifluoride
CasNumber
38675-82-0
MolecularFormula
C11H9F3O
MolecularWeight
214.1838
MdlNumber
MFCD03841230
Smiles
O=C(c1cccc(c1)C(F)(F)F)C1CC1
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AF71522
ChemicalName: 3-(Cyclopropylcarbonyl)benzotrifluoride
CasNumber: 38675-82-0
MolecularFormula: C11H9F3O
MolecularWeight: 214.1838
MdlNumber: MFCD03841230
Smiles: O=C(c1cccc(c1)C(F)(F)F)C1CC1
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AF71522
ChemicalName:
3-(Cyclopropylcarbonyl)benzotrifluoride
CasNumber:
38675-82-0
MolecularFormula:
C11H9F3O
MolecularWeight:
214.1838
MdlNumber:
MFCD03841230
Smiles:
O=C(c1cccc(c1)C(F)(F)F)C1CC1
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.9
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Smiles: [Na]OS(=O)(=O)Oc1c([nH]c2c1cccc2)c1[nH]c2c(c1OS(=O)(=O)O[Na])cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
[Na]OS(=O)(=O)Oc1c([nH]c2c1cccc2)c1[nH]c2c(c1OS(=O)(=O)O[Na])cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(OC(C)(C)C)CC1CC(C=Cc2c(nc(nc2c2ccc(cc2)F)NS(=O)(=O)C)C(C)C)OC(O1)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OC(C)(C)C)CC1CC(C=Cc2c(nc(nc2c2ccc(cc2)F)NS(=O)(=O)C)C(C)C)OC(O1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: COc1cccc(c1)CCC(=C)C
Complexity: __
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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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Smiles:
COc1cccc(c1)CCC(=C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__