AB52380
194804-90-5 | 4-Bromo-2-fluoro-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52380
ChemicalName
4-Bromo-2-fluoro-3-methylbenzoic acid
CasNumber
194804-90-5
MolecularFormula
C8H6BrFO2
MolecularWeight
233.0344
MdlNumber
MFCD22052783
Smiles
OC(=O)c1ccc(c(c1F)C)Br
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AB52380
ChemicalName: 4-Bromo-2-fluoro-3-methylbenzoic acid
CasNumber: 194804-90-5
MolecularFormula: C8H6BrFO2
MolecularWeight: 233.0344
MdlNumber: MFCD22052783
Smiles: OC(=O)c1ccc(c(c1F)C)Br
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB52380
ChemicalName:
4-Bromo-2-fluoro-3-methylbenzoic acid
CasNumber:
194804-90-5
MolecularFormula:
C8H6BrFO2
MolecularWeight:
233.0344
MdlNumber:
MFCD22052783
Smiles:
OC(=O)c1ccc(c(c1F)C)Br
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
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MolecularFormula: __
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Smiles: COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC.Cl
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: __
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Covalently-bondedUnitCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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