AI53672
61367-62-2 | 4-Bromo-3,5-dimethoxybenzyl alcohol
Manufacturer: A2B Chem
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CatalogNumber
AI53672
ChemicalName
4-Bromo-3,5-dimethoxybenzyl alcohol
CasNumber
61367-62-2
MolecularFormula
C9H11BrO3
MolecularWeight
247.08584
MdlNumber
MFCD06658150
Smiles
COc1cc(CO)cc(c1Br)OC
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AI53672
ChemicalName: 4-Bromo-3,5-dimethoxybenzyl alcohol
CasNumber: 61367-62-2
MolecularFormula: C9H11BrO3
MolecularWeight: 247.08584
MdlNumber: MFCD06658150
Smiles: COc1cc(CO)cc(c1Br)OC
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AI53672
ChemicalName:
4-Bromo-3,5-dimethoxybenzyl alcohol
CasNumber:
61367-62-2
MolecularFormula:
C9H11BrO3
MolecularWeight:
247.08584
MdlNumber:
MFCD06658150
Smiles:
COc1cc(CO)cc(c1Br)OC
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C[C@H]1CCCN1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
COC(=O)C[C@H]1CCCN1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AI53674
ChemicalName: Rifapentine
CasNumber: 61379-65-5
MolecularFormula: C47H64N4O12
MolecularWeight: 877.0307
MdlNumber: MFCD00866806
Smiles: COC1C=COC2(C)Oc3c(C2=O)c2c(O)c(C=NN4CCN(CC4)C4CCCC4)c(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI53674
ChemicalName:
Rifapentine
CasNumber:
61379-65-5
MolecularFormula:
C47H64N4O12
MolecularWeight:
877.0307
MdlNumber:
MFCD00866806
Smiles:
COC1C=COC2(C)Oc3c(C2=O)c2c(O)c(C=NN4CCN(CC4)C4CCCC4)c(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1ccc(c(c1)OCC)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCc1ccc(c(c1)OCC)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__