AI60338
90055-47-3 | Methyl 2-chloro-2-(2-chlorophenyl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI60338
ChemicalName
Methyl 2-chloro-2-(2-chlorophenyl)acetate
CasNumber
90055-47-3
MolecularFormula
C9H8Cl2O2
MolecularWeight
219.0646
MdlNumber
MFCD08061395
Smiles
COC(=O)C(c1ccccc1Cl)Cl
Complexity
185
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3.1
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CatalogNumber: AI60338
ChemicalName: Methyl 2-chloro-2-(2-chlorophenyl)acetate
CasNumber: 90055-47-3
MolecularFormula: C9H8Cl2O2
MolecularWeight: 219.0646
MdlNumber: MFCD08061395
Smiles: COC(=O)C(c1ccccc1Cl)Cl
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.1
CatalogNumber:
AI60338
ChemicalName:
Methyl 2-chloro-2-(2-chlorophenyl)acetate
CasNumber:
90055-47-3
MolecularFormula:
C9H8Cl2O2
MolecularWeight:
219.0646
MdlNumber:
MFCD08061395
Smiles:
COC(=O)C(c1ccccc1Cl)Cl
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.1
CatalogNumber: __
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Smiles: Brc1c(O)c2ccccc2n(c1=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
Brc1c(O)c2ccccc2n(c1=O)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=Cc1cc(OC)c(cc1OC)Cl
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Smiles:
O=Cc1cc(OC)c(cc1OC)Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCOc1c(C)c(OCC)cc2c1cc([nH]2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOc1c(C)c(OCC)cc2c1cc([nH]2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__