AI51553
515135-65-6 | 5-Bromo-2-fluoro-4-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI51553
ChemicalName
5-Bromo-2-fluoro-4-methylbenzoic acid
CasNumber
515135-65-6
MolecularFormula
C8H6BrFO2
MolecularWeight
233.0344432
MdlNumber
MFCD23712067
Smiles
OC(=O)c1cc(Br)c(cc1F)C
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AI51553
ChemicalName: 5-Bromo-2-fluoro-4-methylbenzoic acid
CasNumber: 515135-65-6
MolecularFormula: C8H6BrFO2
MolecularWeight: 233.0344432
MdlNumber: MFCD23712067
Smiles: OC(=O)c1cc(Br)c(cc1F)C
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AI51553
ChemicalName:
5-Bromo-2-fluoro-4-methylbenzoic acid
CasNumber:
515135-65-6
MolecularFormula:
C8H6BrFO2
MolecularWeight:
233.0344432
MdlNumber:
MFCD23712067
Smiles:
OC(=O)c1cc(Br)c(cc1F)C
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)C)NC1CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)C)NC1CC1
Complexity:
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Smiles: Clc1cnc2c(c1)cc(cc2N)F
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Smiles:
Clc1cnc2c(c1)cc(cc2N)F
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: C1CCC(CC1)CC1CCCCN1
Complexity: __
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ChemicalName:
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CasNumber:
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MolecularWeight:
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Smiles:
C1CCC(CC1)CC1CCCCN1
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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