AG81108
647020-71-1 | 2-Bromo-3-fluorobenzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG81108
ChemicalName
2-Bromo-3-fluorobenzoic acid methyl ester
CasNumber
647020-71-1
MolecularFormula
C8H6BrFO2
MolecularWeight
233.0344432
MdlNumber
MFCD10000921
Smiles
COC(=O)c1cccc(c1Br)F
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AG81108
ChemicalName: 2-Bromo-3-fluorobenzoic acid methyl ester
CasNumber: 647020-71-1
MolecularFormula: C8H6BrFO2
MolecularWeight: 233.0344432
MdlNumber: MFCD10000921
Smiles: COC(=O)c1cccc(c1Br)F
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AG81108
ChemicalName:
2-Bromo-3-fluorobenzoic acid methyl ester
CasNumber:
647020-71-1
MolecularFormula:
C8H6BrFO2
MolecularWeight:
233.0344432
MdlNumber:
MFCD10000921
Smiles:
COC(=O)c1cccc(c1Br)F
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: COC(=O)C(=O)C#C[Si](C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)C(=O)C#C[Si](C)(C)C
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(Cc1c[nH]c2c1cccc2)N[C@H](C(=O)O)CCC(=O)O
Complexity: __
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Smiles:
O=C(Cc1c[nH]c2c1cccc2)N[C@H](C(=O)O)CCC(=O)O
Complexity:
__
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HeavyAtomCount:
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Smiles: NNCc1ccccc1Cl.Cl.Cl
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Smiles:
NNCc1ccccc1Cl.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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