AD29850
213598-20-0 | 3-Bromo-4-isopropoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD29850
ChemicalName
3-Bromo-4-isopropoxybenzoic acid
CasNumber
213598-20-0
MolecularFormula
C10H11BrO3
MolecularWeight
259.09654
MdlNumber
MFCD07187811
Smiles
CC(Oc1ccc(cc1Br)C(=O)O)C
Complexity
206
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AD29850
ChemicalName: 3-Bromo-4-isopropoxybenzoic acid
CasNumber: 213598-20-0
MolecularFormula: C10H11BrO3
MolecularWeight: 259.09654
MdlNumber: MFCD07187811
Smiles: CC(Oc1ccc(cc1Br)C(=O)O)C
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AD29850
ChemicalName:
3-Bromo-4-isopropoxybenzoic acid
CasNumber:
213598-20-0
MolecularFormula:
C10H11BrO3
MolecularWeight:
259.09654
MdlNumber:
MFCD07187811
Smiles:
CC(Oc1ccc(cc1Br)C(=O)O)C
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)B1OCC(CO1)(C)C
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:
COc1ccc(cc1)B1OCC(CO1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1cncc(c1)OC[C@@H]1CCN1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
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Smiles:
Ic1cncc(c1)OC[C@@H]1CCN1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1CCCC(=O)N1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1CCCC(=O)N1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__