AB75863
934-05-4 | Methyl 4-bromo-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75863
ChemicalName
Methyl 4-bromo-1H-pyrrole-2-carboxylate
CasNumber
934-05-4
MolecularFormula
C6H6BrNO2
MolecularWeight
204.0213
MdlNumber
MFCD00832855
Smiles
COC(=O)c1cc(c[nH]1)Br
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB75863
ChemicalName: Methyl 4-bromo-1H-pyrrole-2-carboxylate
CasNumber: 934-05-4
MolecularFormula: C6H6BrNO2
MolecularWeight: 204.0213
MdlNumber: MFCD00832855
Smiles: COC(=O)c1cc(c[nH]1)Br
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB75863
ChemicalName:
Methyl 4-bromo-1H-pyrrole-2-carboxylate
CasNumber:
934-05-4
MolecularFormula:
C6H6BrNO2
MolecularWeight:
204.0213
MdlNumber:
MFCD00832855
Smiles:
COC(=O)c1cc(c[nH]1)Br
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c2c1cccc2)Br
Complexity: 242
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c2c1cccc2)Br
Complexity:
242
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7
CatalogNumber: AB75865
ChemicalName: Methyl 4-bromo-2-(methylsulfonyl)benzoate
CasNumber: 773134-43-3
MolecularFormula: C9H9BrO4S
MolecularWeight: 293.1344
MdlNumber: MFCD06204242
Smiles: COC(=O)c1ccc(cc1S(=O)(=O)C)Br
Complexity: 333
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AB75865
ChemicalName:
Methyl 4-bromo-2-(methylsulfonyl)benzoate
CasNumber:
773134-43-3
MolecularFormula:
C9H9BrO4S
MolecularWeight:
293.1344
MdlNumber:
MFCD06204242
Smiles:
COC(=O)c1ccc(cc1S(=O)(=O)C)Br
Complexity:
333
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.3
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
HydrogenBondDonorCount: __
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
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.4