AB46522
392-04-1 | Methyl 4-fluoro-2-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB46522
ChemicalName
Methyl 4-fluoro-2-hydroxybenzoate
CasNumber
392-04-1
MolecularFormula
C8H7FO3
MolecularWeight
170.1378
MdlNumber
MFCD02093965
Smiles
COC(=O)c1ccc(cc1O)F
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AB46522
ChemicalName: Methyl 4-fluoro-2-hydroxybenzoate
CasNumber: 392-04-1
MolecularFormula: C8H7FO3
MolecularWeight: 170.1378
MdlNumber: MFCD02093965
Smiles: COC(=O)c1ccc(cc1O)F
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB46522
ChemicalName:
Methyl 4-fluoro-2-hydroxybenzoate
CasNumber:
392-04-1
MolecularFormula:
C8H7FO3
MolecularWeight:
170.1378
MdlNumber:
MFCD02093965
Smiles:
COC(=O)c1ccc(cc1O)F
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AB46523
ChemicalName: Sodium methylparaben
CasNumber: 5026-62-0
MolecularFormula: C8H7NaO3
MolecularWeight: 174.1292
MdlNumber: MFCD00016470
Smiles: COC(=O)c1ccc(cc1)[O-].[Na+]
Complexity: 141
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB46523
ChemicalName:
Sodium methylparaben
CasNumber:
5026-62-0
MolecularFormula:
C8H7NaO3
MolecularWeight:
174.1292
MdlNumber:
MFCD00016470
Smiles:
COC(=O)c1ccc(cc1)[O-].[Na+]
Complexity:
141
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB46524
ChemicalName: Methyl 3H-imidazole-4-carboxylate
CasNumber: 17325-26-7
MolecularFormula: C5H6N2O2
MolecularWeight: 126.1133
MdlNumber: MFCD00216584
Smiles: COC(=O)c1c[nH]cn1
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AB46524
ChemicalName:
Methyl 3H-imidazole-4-carboxylate
CasNumber:
17325-26-7
MolecularFormula:
C5H6N2O2
MolecularWeight:
126.1133
MdlNumber:
MFCD00216584
Smiles:
COC(=O)c1c[nH]cn1
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__