AH93659
875160-43-3 | 4-Bromo-1-methyl-1h-pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH93659
ChemicalName
4-Bromo-1-methyl-1h-pyrrole-2-carboxylic acid
CasNumber
875160-43-3
MolecularFormula
C6H6BrNO2
MolecularWeight
204.0213
MdlNumber
MFCD07838483
Smiles
Cn1cc(cc1C(=O)O)Br
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AH93659
ChemicalName: 4-Bromo-1-methyl-1h-pyrrole-2-carboxylic acid
CasNumber: 875160-43-3
MolecularFormula: C6H6BrNO2
MolecularWeight: 204.0213
MdlNumber: MFCD07838483
Smiles: Cn1cc(cc1C(=O)O)Br
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AH93659
ChemicalName:
4-Bromo-1-methyl-1h-pyrrole-2-carboxylic acid
CasNumber:
875160-43-3
MolecularFormula:
C6H6BrNO2
MolecularWeight:
204.0213
MdlNumber:
MFCD07838483
Smiles:
Cn1cc(cc1C(=O)O)Br
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ncc(c(c1)OC)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ncc(c(c1)OC)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH93661
ChemicalName: Methyl 5-bromo-6-methoxynicotinate
CasNumber: 93349-99-6
MolecularFormula: C8H8BrNO3
MolecularWeight: 246.058
MdlNumber: MFCD14698128
Smiles: COC(=O)c1cnc(c(c1)Br)OC
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AH93661
ChemicalName:
Methyl 5-bromo-6-methoxynicotinate
CasNumber:
93349-99-6
MolecularFormula:
C8H8BrNO3
MolecularWeight:
246.058
MdlNumber:
MFCD14698128
Smiles:
COC(=O)c1cnc(c(c1)Br)OC
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OP(=O)(CN1CCN(CCN(CCN(CC1)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OP(=O)(CN1CCN(CCN(CCN(CC1)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__