AA86259
16420-39-6 | Methyl 5-bromo-3-pyrrolecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA86259
ChemicalName
Methyl 5-bromo-3-pyrrolecarboxylate
CasNumber
16420-39-6
MolecularFormula
C6H6BrNO2
MolecularWeight
204.0213
MdlNumber
MFCD09841652
Smiles
COC(=O)c1c[nH]c(c1)Br
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AA86259
ChemicalName: Methyl 5-bromo-3-pyrrolecarboxylate
CasNumber: 16420-39-6
MolecularFormula: C6H6BrNO2
MolecularWeight: 204.0213
MdlNumber: MFCD09841652
Smiles: COC(=O)c1c[nH]c(c1)Br
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AA86259
ChemicalName:
Methyl 5-bromo-3-pyrrolecarboxylate
CasNumber:
16420-39-6
MolecularFormula:
C6H6BrNO2
MolecularWeight:
204.0213
MdlNumber:
MFCD09841652
Smiles:
COC(=O)c1c[nH]c(c1)Br
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cnc(c(c1)[N+](=O)[O-])Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cnc(c(c1)[N+](=O)[O-])Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccccc1C)O
Complexity: 106
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccccc1C)O
Complexity:
106
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1ccc(cc1)C(=O)O
Complexity: 139
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1ccc(cc1)C(=O)O
Complexity:
139
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2