AE23042
1123169-23-2 | Methyl 6-bromobenzo[d]isoxazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE23042
ChemicalName
Methyl 6-bromobenzo[d]isoxazole-3-carboxylate
CasNumber
1123169-23-2
MolecularFormula
C9H6BrNO3
MolecularWeight
256.0528
MdlNumber
MFCD11858439
Smiles
COC(=O)c1noc2c1ccc(c2)Br
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AE23042
ChemicalName: Methyl 6-bromobenzo[d]isoxazole-3-carboxylate
CasNumber: 1123169-23-2
MolecularFormula: C9H6BrNO3
MolecularWeight: 256.0528
MdlNumber: MFCD11858439
Smiles: COC(=O)c1noc2c1ccc(c2)Br
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AE23042
ChemicalName:
Methyl 6-bromobenzo[d]isoxazole-3-carboxylate
CasNumber:
1123169-23-2
MolecularFormula:
C9H6BrNO3
MolecularWeight:
256.0528
MdlNumber:
MFCD11858439
Smiles:
COC(=O)c1noc2c1ccc(c2)Br
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: Brc1ccc2n(c1)c(nc2)C(=O)O
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
Brc1ccc2n(c1)c(nc2)C(=O)O
Complexity:
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Smiles: CCOC(=O)c1n[nH]c2c1ccc(n2)Cl
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Smiles:
CCOC(=O)c1n[nH]c2c1ccc(n2)Cl
Complexity:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Nc1nc(Cl)cc(c1)c1ccccc1
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MolecularFormula:
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Smiles:
Nc1nc(Cl)cc(c1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__