AH93661
93349-99-6 | Methyl 5-bromo-6-methoxynicotinate
Manufacturer: A2B Chem
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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
RotatableBondCount
3
Xlogp3
1.7
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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
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
RotatableBondCount:
3
Xlogp3:
1.7
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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: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OP(=O)(CN1CCN(CCN(CCN(CC1)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)O
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CN(C)CCC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br
Complexity: __
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Smiles:
CN(C)CCC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: C1C(CC2=CC=CC=C2C1Br)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C1C(CC2=CC=CC=C2C1Br)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__