AD46946
3337-59-5 | Methyl 3,5-dichloro-4-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD46946
ChemicalName
Methyl 3,5-dichloro-4-hydroxybenzoate
CasNumber
3337-59-5
MolecularFormula
C8H6Cl2O3
MolecularWeight
221.03743999999998
MdlNumber
MFCD00150271
Smiles
COC(=O)c1cc(Cl)c(c(c1)Cl)O
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AD46946
ChemicalName: Methyl 3,5-dichloro-4-hydroxybenzoate
CasNumber: 3337-59-5
MolecularFormula: C8H6Cl2O3
MolecularWeight: 221.03743999999998
MdlNumber: MFCD00150271
Smiles: COC(=O)c1cc(Cl)c(c(c1)Cl)O
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AD46946
ChemicalName:
Methyl 3,5-dichloro-4-hydroxybenzoate
CasNumber:
3337-59-5
MolecularFormula:
C8H6Cl2O3
MolecularWeight:
221.03743999999998
MdlNumber:
MFCD00150271
Smiles:
COC(=O)c1cc(Cl)c(c(c1)Cl)O
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
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Smiles: OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO
Complexity: __
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HeavyAtomCount: __
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Smiles:
OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO
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Smiles: C1C=CNC=C1
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C1C=CNC=C1
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RotatableBondCount:
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Smiles: CCOC(=O)Cc1cc(cn1C)C
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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:
CCOC(=O)Cc1cc(cn1C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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