AB52067
1427373-55-4 | 3-Bromo-6-fluoro-2-methyl-benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52067
ChemicalName
3-Bromo-6-fluoro-2-methyl-benzoic acid
CasNumber
1427373-55-4
MolecularFormula
C8H6BrFO2
MolecularWeight
233.0344
MdlNumber
MFCD23712078
Smiles
OC(=O)c1c(F)ccc(c1C)Br
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AB52067
ChemicalName: 3-Bromo-6-fluoro-2-methyl-benzoic acid
CasNumber: 1427373-55-4
MolecularFormula: C8H6BrFO2
MolecularWeight: 233.0344
MdlNumber: MFCD23712078
Smiles: OC(=O)c1c(F)ccc(c1C)Br
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB52067
ChemicalName:
3-Bromo-6-fluoro-2-methyl-benzoic acid
CasNumber:
1427373-55-4
MolecularFormula:
C8H6BrFO2
MolecularWeight:
233.0344
MdlNumber:
MFCD23712078
Smiles:
OC(=O)c1c(F)ccc(c1C)Br
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(c(n1)C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
Brc1ccc(c(n1)C(=O)O)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AB52069
ChemicalName: Acid Red 52
CasNumber: 3520-42-1
MolecularFormula: C27H30N2NaO7S2
MolecularWeight: 581.6561
MdlNumber: MFCD00010180
Smiles: CCN(c1ccc2c(c1)[o+]c1c(c2c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)O)ccc(c1)N(CC)CC)CC.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB52069
ChemicalName:
Acid Red 52
CasNumber:
3520-42-1
MolecularFormula:
C27H30N2NaO7S2
MolecularWeight:
581.6561
MdlNumber:
MFCD00010180
Smiles:
CCN(c1ccc2c(c1)[o+]c1c(c2c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)O)ccc(c1)N(CC)CC)CC.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__