AI58183
870535-27-6 | tert-Butyl 4-chloro-2-(hydroxymethyl)-1h-indole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI58183
ChemicalName
tert-Butyl 4-chloro-2-(hydroxymethyl)-1h-indole-1-carboxylate
CasNumber
870535-27-6
MolecularFormula
C14H16ClNO3
MolecularWeight
281.7347
MdlNumber
MFCD30489086
Smiles
OCc1cc2c(n1C(=O)OC(C)(C)C)cccc2Cl
Complexity
342
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AI58183
ChemicalName: tert-Butyl 4-chloro-2-(hydroxymethyl)-1h-indole-1-carboxylate
CasNumber: 870535-27-6
MolecularFormula: C14H16ClNO3
MolecularWeight: 281.7347
MdlNumber: MFCD30489086
Smiles: OCc1cc2c(n1C(=O)OC(C)(C)C)cccc2Cl
Complexity: 342
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AI58183
ChemicalName:
tert-Butyl 4-chloro-2-(hydroxymethyl)-1h-indole-1-carboxylate
CasNumber:
870535-27-6
MolecularFormula:
C14H16ClNO3
MolecularWeight:
281.7347
MdlNumber:
MFCD30489086
Smiles:
OCc1cc2c(n1C(=O)OC(C)(C)C)cccc2Cl
Complexity:
342
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])NN
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:
__
MdlNumber:
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Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NN
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(nc1)Oc1ccccc1C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-][N+](=O)c1ccc(nc1)Oc1ccccc1C(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AI58187
ChemicalName: 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium iodide
CasNumber: 870556-29-9
MolecularFormula: C11H17BINO2
MolecularWeight: 332.9737
MdlNumber: MFCD26523329
Smiles: C[n+]1ccc(cc1)B1OCC(CO1)(C)C.[I-]
Complexity: 205
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AI58187
ChemicalName:
4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium iodide
CasNumber:
870556-29-9
MolecularFormula:
C11H17BINO2
MolecularWeight:
332.9737
MdlNumber:
MFCD26523329
Smiles:
C[n+]1ccc(cc1)B1OCC(CO1)(C)C.[I-]
Complexity:
205
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__