AB75872
166272-81-7 | methyl 4-chloro-3-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75872
ChemicalName
methyl 4-chloro-3-hydroxybenzoate
CasNumber
166272-81-7
MolecularFormula
C8H7ClO3
MolecularWeight
186.5924
MdlNumber
MFCD11505968
Smiles
COC(=O)c1ccc(c(c1)O)Cl
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AB75872
ChemicalName: methyl 4-chloro-3-hydroxybenzoate
CasNumber: 166272-81-7
MolecularFormula: C8H7ClO3
MolecularWeight: 186.5924
MdlNumber: MFCD11505968
Smiles: COC(=O)c1ccc(c(c1)O)Cl
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB75872
ChemicalName:
methyl 4-chloro-3-hydroxybenzoate
CasNumber:
166272-81-7
MolecularFormula:
C8H7ClO3
MolecularWeight:
186.5924
MdlNumber:
MFCD11505968
Smiles:
COC(=O)c1ccc(c(c1)O)Cl
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCC(=O)Cl
Complexity: 121
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCC(=O)Cl
Complexity:
121
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: AB75874
ChemicalName: Methyl 4-chloro-5-azaindole-2-carboxylate
CasNumber: 688357-19-9
MolecularFormula: C9H7ClN2O2
MolecularWeight: 210.6171
MdlNumber: MFCD09870065
Smiles: COC(=O)c1cc2c([nH]1)ccnc2Cl
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB75874
ChemicalName:
Methyl 4-chloro-5-azaindole-2-carboxylate
CasNumber:
688357-19-9
MolecularFormula:
C9H7ClN2O2
MolecularWeight:
210.6171
MdlNumber:
MFCD09870065
Smiles:
COC(=O)c1cc2c([nH]1)ccnc2Cl
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AB75875
ChemicalName: Methyl 4-chloro-7-methoxyquinoline-2-carboxylate
CasNumber: 1133115-50-0
MolecularFormula: C12H10ClNO3
MolecularWeight: 251.6657
MdlNumber: MFCD11855871
Smiles: COc1ccc2c(c1)nc(cc2Cl)C(=O)OC
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AB75875
ChemicalName:
Methyl 4-chloro-7-methoxyquinoline-2-carboxylate
CasNumber:
1133115-50-0
MolecularFormula:
C12H10ClNO3
MolecularWeight:
251.6657
MdlNumber:
MFCD11855871
Smiles:
COc1ccc2c(c1)nc(cc2Cl)C(=O)OC
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3