AG87089
56427-54-4 | Ethyl 5-chloro-2-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG87089
ChemicalName
Ethyl 5-chloro-2-methylbenzoate
CasNumber
56427-54-4
MolecularFormula
C10H11ClO2
MolecularWeight
198.6461
MdlNumber
MFCD11226198
Smiles
Cc1ccc(cc1C(=O)OCC)Cl
Complexity
182
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AG87089
ChemicalName: Ethyl 5-chloro-2-methylbenzoate
CasNumber: 56427-54-4
MolecularFormula: C10H11ClO2
MolecularWeight: 198.6461
MdlNumber: MFCD11226198
Smiles: Cc1ccc(cc1C(=O)OCC)Cl
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AG87089
ChemicalName:
Ethyl 5-chloro-2-methylbenzoate
CasNumber:
56427-54-4
MolecularFormula:
C10H11ClO2
MolecularWeight:
198.6461
MdlNumber:
MFCD11226198
Smiles:
Cc1ccc(cc1C(=O)OCC)Cl
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.1
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Smiles: Clc1ccc(c(c1)C(=O)O)n1cncn1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1ccc(c(c1)C(=O)O)n1cncn1
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: BrCc1ccccc1N1C(=O)c2c(C1=O)cccc2
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Smiles:
BrCc1ccccc1N1C(=O)c2c(C1=O)cccc2
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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CatalogNumber:
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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:
CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__