AB75866
99548-55-7 | Methyl 4-bromo-2-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75866
ChemicalName
Methyl 4-bromo-2-methylbenzoate
CasNumber
99548-55-7
MolecularFormula
C9H9BrO2
MolecularWeight
229.0706
MdlNumber
MFCD09954957
Smiles
COC(=O)c1ccc(cc1C)Br
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AB75866
ChemicalName: Methyl 4-bromo-2-methylbenzoate
CasNumber: 99548-55-7
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD09954957
Smiles: COC(=O)c1ccc(cc1C)Br
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AB75866
ChemicalName:
Methyl 4-bromo-2-methylbenzoate
CasNumber:
99548-55-7
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD09954957
Smiles:
COC(=O)c1ccc(cc1C)Br
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1scc(c1O)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1scc(c1O)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75868
ChemicalName: Methyl 4-bromo-3-methoxybenzoate
CasNumber: 17100-63-9
MolecularFormula: C9H9BrO3
MolecularWeight: 245.06996
MdlNumber: MFCD08436018
Smiles: COC(=O)c1ccc(c(c1)OC)Br
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AB75868
ChemicalName:
Methyl 4-bromo-3-methoxybenzoate
CasNumber:
17100-63-9
MolecularFormula:
C9H9BrO3
MolecularWeight:
245.06996
MdlNumber:
MFCD08436018
Smiles:
COC(=O)c1ccc(c(c1)OC)Br
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AB75869
ChemicalName: Methyl 4-bromo-5-azaindole-2-carboxylate
CasNumber: 871583-15-2
MolecularFormula: C9H7BrN2O2
MolecularWeight: 255.0681
MdlNumber: MFCD10697648
Smiles: COC(=O)c1cc2c([nH]1)ccnc2Br
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB75869
ChemicalName:
Methyl 4-bromo-5-azaindole-2-carboxylate
CasNumber:
871583-15-2
MolecularFormula:
C9H7BrN2O2
MolecularWeight:
255.0681
MdlNumber:
MFCD10697648
Smiles:
COC(=O)c1cc2c([nH]1)ccnc2Br
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.2