AB46521
22717-55-1 | Methyl 4-chloro-2-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB46521
ChemicalName
Methyl 4-chloro-2-hydroxybenzoate
CasNumber
22717-55-1
MolecularFormula
C8H7ClO3
MolecularWeight
186.5924
MdlNumber
MFCD03407436
Smiles
COC(=O)c1ccc(cc1O)Cl
NscNumber
300575
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.6
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CatalogNumber: AB46521
ChemicalName: Methyl 4-chloro-2-hydroxybenzoate
CasNumber: 22717-55-1
MolecularFormula: C8H7ClO3
MolecularWeight: 186.5924
MdlNumber: MFCD03407436
Smiles: COC(=O)c1ccc(cc1O)Cl
NscNumber: 300575
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AB46521
ChemicalName:
Methyl 4-chloro-2-hydroxybenzoate
CasNumber:
22717-55-1
MolecularFormula:
C8H7ClO3
MolecularWeight:
186.5924
MdlNumber:
MFCD03407436
Smiles:
COC(=O)c1ccc(cc1O)Cl
NscNumber:
300575
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.6
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
NscNumber: __
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
NscNumber:
__
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+]
NscNumber: __
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+]
NscNumber:
__
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
NscNumber: __
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
NscNumber:
__
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2