AE97418
176750-70-2 | Methyl 2-chloro-6-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE97418
ChemicalName
Methyl 2-chloro-6-hydroxybenzoate
CasNumber
176750-70-2
MolecularFormula
C8H7ClO3
MolecularWeight
186.59238
MdlNumber
MFCD15523524
Smiles
COC(=O)c1c(O)cccc1Cl
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AE97418
ChemicalName: Methyl 2-chloro-6-hydroxybenzoate
CasNumber: 176750-70-2
MolecularFormula: C8H7ClO3
MolecularWeight: 186.59238
MdlNumber: MFCD15523524
Smiles: COC(=O)c1c(O)cccc1Cl
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AE97418
ChemicalName:
Methyl 2-chloro-6-hydroxybenzoate
CasNumber:
176750-70-2
MolecularFormula:
C8H7ClO3
MolecularWeight:
186.59238
MdlNumber:
MFCD15523524
Smiles:
COC(=O)c1c(O)cccc1Cl
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
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Smiles: OCC1CCCCN1C(=O)OC
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OCC1CCCCN1C(=O)OC
Complexity:
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RotatableBondCount:
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Smiles: COC(=O)c1ncc(=O)[nH]c1N
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Smiles:
COC(=O)c1ncc(=O)[nH]c1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COC(=O)c1oc2c(c1N)nccc2
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HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)c1oc2c(c1N)nccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__