AB58967
81606-47-5 | 2-(3-Bromophenyl)-2-methylpropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB58967
ChemicalName
2-(3-Bromophenyl)-2-methylpropanoic acid
CasNumber
81606-47-5
MolecularFormula
C10H11BrO2
MolecularWeight
243.0971
MdlNumber
MFCD31731200
Smiles
Brc1cccc(c1)C(C(=O)O)(C)C
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AB58967
ChemicalName: 2-(3-Bromophenyl)-2-methylpropanoic acid
CasNumber: 81606-47-5
MolecularFormula: C10H11BrO2
MolecularWeight: 243.0971
MdlNumber: MFCD31731200
Smiles: Brc1cccc(c1)C(C(=O)O)(C)C
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AB58967
ChemicalName:
2-(3-Bromophenyl)-2-methylpropanoic acid
CasNumber:
81606-47-5
MolecularFormula:
C10H11BrO2
MolecularWeight:
243.0971
MdlNumber:
MFCD31731200
Smiles:
Brc1cccc(c1)C(C(=O)O)(C)C
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc(c1)c1nnc(o1)c1cccs1
Complexity: 269
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc(c1)c1nnc(o1)c1cccs1
Complexity:
269
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: AB58969
ChemicalName: 2-(3-Bromophenyl)-5-butyl-1,3,4-oxadiazole
CasNumber: 957065-94-0
MolecularFormula: C12H13BrN2O
MolecularWeight: 281.1484
MdlNumber: MFCD09878392
Smiles: CCCCc1nnc(o1)c1cccc(c1)Br
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.8
CatalogNumber:
AB58969
ChemicalName:
2-(3-Bromophenyl)-5-butyl-1,3,4-oxadiazole
CasNumber:
957065-94-0
MolecularFormula:
C12H13BrN2O
MolecularWeight:
281.1484
MdlNumber:
MFCD09878392
Smiles:
CCCCc1nnc(o1)c1cccc(c1)Br
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.8
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:
__