AA41570
1314671-09-4 | 2-(4-Bromo-2-fluorophenyl)-2-methylpropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA41570
ChemicalName
2-(4-Bromo-2-fluorophenyl)-2-methylpropanoic acid
CasNumber
1314671-09-4
MolecularFormula
C10H10BrFO2
MolecularWeight
261.0876
MdlNumber
MFCD19695484
Smiles
Brc1ccc(c(c1)F)C(C(=O)O)(C)C
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AA41570
ChemicalName: 2-(4-Bromo-2-fluorophenyl)-2-methylpropanoic acid
CasNumber: 1314671-09-4
MolecularFormula: C10H10BrFO2
MolecularWeight: 261.0876
MdlNumber: MFCD19695484
Smiles: Brc1ccc(c(c1)F)C(C(=O)O)(C)C
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AA41570
ChemicalName:
2-(4-Bromo-2-fluorophenyl)-2-methylpropanoic acid
CasNumber:
1314671-09-4
MolecularFormula:
C10H10BrFO2
MolecularWeight:
261.0876
MdlNumber:
MFCD19695484
Smiles:
Brc1ccc(c(c1)F)C(C(=O)O)(C)C
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC(c1ccccc1N)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC(c1ccccc1N)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cccc(c1N1C=CN(C1(F)F)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cccc(c1N1C=CN(C1(F)F)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA41573
ChemicalName: 1-(4-Bromo-3-methylphenyl)cyclopropane-1-carboxylic acid
CasNumber: 1314654-60-8
MolecularFormula: C11H11BrO2
MolecularWeight: 255.1078
MdlNumber: MFCD19693711
Smiles: OC(=O)C1(CC1)c1ccc(c(c1)C)Br
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AA41573
ChemicalName:
1-(4-Bromo-3-methylphenyl)cyclopropane-1-carboxylic acid
CasNumber:
1314654-60-8
MolecularFormula:
C11H11BrO2
MolecularWeight:
255.1078
MdlNumber:
MFCD19693711
Smiles:
OC(=O)C1(CC1)c1ccc(c(c1)C)Br
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8