AB37550
29415-97-2 | Methyl 3-bromo-4-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB37550
ChemicalName
Methyl 3-bromo-4-hydroxybenzoate
CasNumber
29415-97-2
MolecularFormula
C8H7BrO3
MolecularWeight
231.0434
MdlNumber
MFCD00069106
Smiles
COC(=O)c1ccc(c(c1)Br)O
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AB37550
ChemicalName: Methyl 3-bromo-4-hydroxybenzoate
CasNumber: 29415-97-2
MolecularFormula: C8H7BrO3
MolecularWeight: 231.0434
MdlNumber: MFCD00069106
Smiles: COC(=O)c1ccc(c(c1)Br)O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB37550
ChemicalName:
Methyl 3-bromo-4-hydroxybenzoate
CasNumber:
29415-97-2
MolecularFormula:
C8H7BrO3
MolecularWeight:
231.0434
MdlNumber:
MFCD00069106
Smiles:
COC(=O)c1ccc(c(c1)Br)O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCN(c1ccc2c(c1)c(=O)[nH]nc2O)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCN(c1ccc2c(c1)c(=O)[nH]nc2O)CC
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CSCS
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Smiles:
CSCS
Complexity:
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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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Smiles: [O-]C(=O)CN(Cc1c(O)c(C)cc(c1C)C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(c(c1C)CN(CC(=O)O)CC(=O)O)O)CC(=O)O.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)CN(Cc1c(O)c(C)cc(c1C)C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(c(c1C)CN(CC(=O)O)CC(=O)O)O)CC(=O)O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__