AD70795
104253-44-3 | 2-Chloro-4-hydroxy-benzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD70795
ChemicalName
2-Chloro-4-hydroxy-benzoic acid methyl ester
CasNumber
104253-44-3
MolecularFormula
C8H7ClO3
MolecularWeight
186.5924
MdlNumber
MFCD04117954
Smiles
COC(=O)c1ccc(cc1Cl)O
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AD70795
ChemicalName: 2-Chloro-4-hydroxy-benzoic acid methyl ester
CasNumber: 104253-44-3
MolecularFormula: C8H7ClO3
MolecularWeight: 186.5924
MdlNumber: MFCD04117954
Smiles: COC(=O)c1ccc(cc1Cl)O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AD70795
ChemicalName:
2-Chloro-4-hydroxy-benzoic acid methyl ester
CasNumber:
104253-44-3
MolecularFormula:
C8H7ClO3
MolecularWeight:
186.5924
MdlNumber:
MFCD04117954
Smiles:
COC(=O)c1ccc(cc1Cl)O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(cc1)CC(C(=O)O)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
N#Cc1ccc(cc1)CC(C(=O)O)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: [O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__