AH81647
91085-56-2 | Ethyl 3,5-dichlorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AH81647
ChemicalName
Ethyl 3,5-dichlorobenzoate
CasNumber
91085-56-2
MolecularFormula
C9H8Cl2O2
MolecularWeight
219.0646
MdlNumber
MFCD00221467
Smiles
CCOC(=O)c1cc(Cl)cc(c1)Cl
Complexity
175
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AH81647
ChemicalName: Ethyl 3,5-dichlorobenzoate
CasNumber: 91085-56-2
MolecularFormula: C9H8Cl2O2
MolecularWeight: 219.0646
MdlNumber: MFCD00221467
Smiles: CCOC(=O)c1cc(Cl)cc(c1)Cl
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AH81647
ChemicalName:
Ethyl 3,5-dichlorobenzoate
CasNumber:
91085-56-2
MolecularFormula:
C9H8Cl2O2
MolecularWeight:
219.0646
MdlNumber:
MFCD00221467
Smiles:
CCOC(=O)c1cc(Cl)cc(c1)Cl
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.4
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Smiles: COC1=CCCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MdlNumber:
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Smiles:
COC1=CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: [Na]OCCn1nnnc1SCC1=C(C(=O)O)N2[C@H](OC1)[C@](C2=O)(OC)NC(=O)CSC(F)F
Complexity: __
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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:
[Na]OCCn1nnnc1SCC1=C(C(=O)O)N2[C@H](OC1)[C@](C2=O)(OC)NC(=O)CSC(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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MolecularWeight: __
MdlNumber: __
Smiles: CC(=C)C
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HydrogenBondAcceptorCount: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(=C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__