AB99921
886365-22-6 | 5-Bromo-2-methoxy-isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB99921
ChemicalName
5-Bromo-2-methoxy-isonicotinic acid
CasNumber
886365-22-6
MolecularFormula
C7H6BrNO3
MolecularWeight
232.0314
MdlNumber
MFCD07375111
Smiles
COc1ncc(c(c1)C(=O)O)Br
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB99921
ChemicalName: 5-Bromo-2-methoxy-isonicotinic acid
CasNumber: 886365-22-6
MolecularFormula: C7H6BrNO3
MolecularWeight: 232.0314
MdlNumber: MFCD07375111
Smiles: COc1ncc(c(c1)C(=O)O)Br
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB99921
ChemicalName:
5-Bromo-2-methoxy-isonicotinic acid
CasNumber:
886365-22-6
MolecularFormula:
C7H6BrNO3
MolecularWeight:
232.0314
MdlNumber:
MFCD07375111
Smiles:
COc1ncc(c(c1)C(=O)O)Br
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: COc1cccc(c1)CC(C(=O)O)CN(C(=O)OC(C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1cccc(c1)CC(C(=O)O)CN(C(=O)OC(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Nc1ccc2c(c1)CN(CCN2)C(=O)OC(C)(C)C
Complexity: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
Nc1ccc2c(c1)CN(CCN2)C(=O)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Clc1ccc2c(c1)NCCN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
Clc1ccc2c(c1)NCCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__