AB75960
39503-57-6 | Methyl 5-bromo-2-hydroxy-4-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75960
ChemicalName
Methyl 5-bromo-2-hydroxy-4-methylbenzoate
CasNumber
39503-57-6
MolecularFormula
C9H9BrO3
MolecularWeight
245.07
MdlNumber
MFCD11045602
Smiles
COC(=O)c1cc(Br)c(cc1O)C
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AB75960
ChemicalName: Methyl 5-bromo-2-hydroxy-4-methylbenzoate
CasNumber: 39503-57-6
MolecularFormula: C9H9BrO3
MolecularWeight: 245.07
MdlNumber: MFCD11045602
Smiles: COC(=O)c1cc(Br)c(cc1O)C
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AB75960
ChemicalName:
Methyl 5-bromo-2-hydroxy-4-methylbenzoate
CasNumber:
39503-57-6
MolecularFormula:
C9H9BrO3
MolecularWeight:
245.07
MdlNumber:
MFCD11045602
Smiles:
COC(=O)c1cc(Br)c(cc1O)C
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AB75961
ChemicalName: Methyl 5-bromo-2-methylbenzoate
CasNumber: 79669-50-4
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD09839555
Smiles: Cc1ccc(cc1C(=O)OC)Br
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AB75961
ChemicalName:
Methyl 5-bromo-2-methylbenzoate
CasNumber:
79669-50-4
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD09839555
Smiles:
Cc1ccc(cc1C(=O)OC)Br
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(sc1C(=O)OC)Br
Complexity: 163
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(sc1C(=O)OC)Br
Complexity:
163
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: AB75963
ChemicalName: Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate
CasNumber: 1133115-60-2
MolecularFormula: C12H9BrClNO2
MolecularWeight: 314.5624
MdlNumber: MFCD11855876
Smiles: COC(=O)c1cc(Cl)c2c(n1)c(C)ccc2Br
Complexity: 302
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AB75963
ChemicalName:
Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate
CasNumber:
1133115-60-2
MolecularFormula:
C12H9BrClNO2
MolecularWeight:
314.5624
MdlNumber:
MFCD11855876
Smiles:
COC(=O)c1cc(Cl)c2c(n1)c(C)ccc2Br
Complexity:
302
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
4.1