AF33337
28394-58-3 | Ethyl 3,4-dichlorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF33337
ChemicalName
Ethyl 3,4-dichlorobenzoate
CasNumber
28394-58-3
MolecularFormula
C9H8Cl2O2
MolecularWeight
219.0646
MdlNumber
MFCD06204554
Smiles
CCOC(=O)c1ccc(c(c1)Cl)Cl
Complexity
185
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
4.2
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CatalogNumber: AF33337
ChemicalName: Ethyl 3,4-dichlorobenzoate
CasNumber: 28394-58-3
MolecularFormula: C9H8Cl2O2
MolecularWeight: 219.0646
MdlNumber: MFCD06204554
Smiles: CCOC(=O)c1ccc(c(c1)Cl)Cl
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 4.2
CatalogNumber:
AF33337
ChemicalName:
Ethyl 3,4-dichlorobenzoate
CasNumber:
28394-58-3
MolecularFormula:
C9H8Cl2O2
MolecularWeight:
219.0646
MdlNumber:
MFCD06204554
Smiles:
CCOC(=O)c1ccc(c(c1)Cl)Cl
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
4.2
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Smiles: OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Cc1nc(=O)c(c([nH]1)N)N=O
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Smiles:
Cc1nc(=O)c(c([nH]1)N)N=O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__