AD66757
108249-43-0 | Methyl 3-bromo-4-hydroxy-5-methoxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD66757
ChemicalName
Methyl 3-bromo-4-hydroxy-5-methoxybenzoate
CasNumber
108249-43-0
MolecularFormula
C9H9BrO4
MolecularWeight
261.0694
MdlNumber
MFCD06203663
Smiles
COC(=O)c1cc(OC)c(c(c1)Br)O
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AD66757
ChemicalName: Methyl 3-bromo-4-hydroxy-5-methoxybenzoate
CasNumber: 108249-43-0
MolecularFormula: C9H9BrO4
MolecularWeight: 261.0694
MdlNumber: MFCD06203663
Smiles: COC(=O)c1cc(OC)c(c(c1)Br)O
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AD66757
ChemicalName:
Methyl 3-bromo-4-hydroxy-5-methoxybenzoate
CasNumber:
108249-43-0
MolecularFormula:
C9H9BrO4
MolecularWeight:
261.0694
MdlNumber:
MFCD06203663
Smiles:
COC(=O)c1cc(OC)c(c(c1)Br)O
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(N)ccc1OCCCCCSc1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(N)ccc1OCCCCCSc1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD66764
ChemicalName: 6-Bromo-2,3-dichloroquinoxaline
CasNumber: 108229-82-9
MolecularFormula: C8H3BrCl2N2
MolecularWeight: 277.9328
MdlNumber: MFCD09842518
Smiles: Brc1ccc2c(c1)nc(c(n2)Cl)Cl
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
AD66764
ChemicalName:
6-Bromo-2,3-dichloroquinoxaline
CasNumber:
108229-82-9
MolecularFormula:
C8H3BrCl2N2
MolecularWeight:
277.9328
MdlNumber:
MFCD09842518
Smiles:
Brc1ccc2c(c1)nc(c(n2)Cl)Cl
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: AD66767
ChemicalName: 3-Fluoro-4-hydroxymethylbenzeneboronic acid
CasNumber: 1082066-52-1
MolecularFormula: C7H8BFO3
MolecularWeight: 169.946
MdlNumber: MFCD13181609
Smiles: OCc1ccc(cc1F)B(O)O
Complexity: 145
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AD66767
ChemicalName:
3-Fluoro-4-hydroxymethylbenzeneboronic acid
CasNumber:
1082066-52-1
MolecularFormula:
C7H8BFO3
MolecularWeight:
169.946
MdlNumber:
MFCD13181609
Smiles:
OCc1ccc(cc1F)B(O)O
Complexity:
145
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__