AA53504
121629-14-9 | Methyl 4,4-difluorocyclohexanecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA53504
ChemicalName
Methyl 4,4-difluorocyclohexanecarboxylate
CasNumber
121629-14-9
MolecularFormula
C8H12F2O2
MolecularWeight
178.1765
MdlNumber
MFCD11040454
Smiles
COC(=O)C1CCC(CC1)(F)F
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AA53504
ChemicalName: Methyl 4,4-difluorocyclohexanecarboxylate
CasNumber: 121629-14-9
MolecularFormula: C8H12F2O2
MolecularWeight: 178.1765
MdlNumber: MFCD11040454
Smiles: COC(=O)C1CCC(CC1)(F)F
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AA53504
ChemicalName:
Methyl 4,4-difluorocyclohexanecarboxylate
CasNumber:
121629-14-9
MolecularFormula:
C8H12F2O2
MolecularWeight:
178.1765
MdlNumber:
MFCD11040454
Smiles:
COC(=O)C1CCC(CC1)(F)F
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: COc1cc(c(c(c1)c1cc(OC)cc(c1Op1oc2ccccc2c2c(o1)cccc2)C(C)(C)C)Op1oc2ccccc2c2c(o1)cccc2)C(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
COc1cc(c(c(c1)c1cc(OC)cc(c1Op1oc2ccccc2c2c(o1)cccc2)C(C)(C)C)Op1oc2ccccc2c2c(o1)cccc2)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: C=CCc1ccc(c(c1)Cl)F
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HydrogenBondAcceptorCount: __
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Smiles:
C=CCc1ccc(c(c1)Cl)F
Complexity:
__
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__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: Fc1ccc(cc1)n1cc(c2c1CCCC2=O)C(=O)O
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:
__
MolecularWeight:
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MdlNumber:
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Smiles:
Fc1ccc(cc1)n1cc(c2c1CCCC2=O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__