AB46518
91367-05-4 | Methyl 4-chloro-3-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB46518
ChemicalName
Methyl 4-chloro-3-methylbenzoate
CasNumber
91367-05-4
MolecularFormula
C9H9ClO2
MolecularWeight
184.6196
MdlNumber
MFCD00151838
Smiles
COC(=O)c1ccc(c(c1)C)Cl
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AB46518
ChemicalName: Methyl 4-chloro-3-methylbenzoate
CasNumber: 91367-05-4
MolecularFormula: C9H9ClO2
MolecularWeight: 184.6196
MdlNumber: MFCD00151838
Smiles: COC(=O)c1ccc(c(c1)C)Cl
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB46518
ChemicalName:
Methyl 4-chloro-3-methylbenzoate
CasNumber:
91367-05-4
MolecularFormula:
C9H9ClO2
MolecularWeight:
184.6196
MdlNumber:
MFCD00151838
Smiles:
COC(=O)c1ccc(c(c1)C)Cl
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Complexity: 240
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Complexity:
240
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCC(=O)CC(=O)OC
Complexity: 121
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC(=O)CC(=O)OC
Complexity:
121
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
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
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
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
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.6