AB43014
5176-27-2 | t-Butyl 1H-pyrrole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB43014
ChemicalName
t-Butyl 1H-pyrrole-1-carboxylate
CasNumber
5176-27-2
MolecularFormula
C9H13NO2
MolecularWeight
167.205
MdlNumber
MFCD00209559
Smiles
O=C(n1cccc1)OC(C)(C)C
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AB43014
ChemicalName: t-Butyl 1H-pyrrole-1-carboxylate
CasNumber: 5176-27-2
MolecularFormula: C9H13NO2
MolecularWeight: 167.205
MdlNumber: MFCD00209559
Smiles: O=C(n1cccc1)OC(C)(C)C
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB43014
ChemicalName:
t-Butyl 1H-pyrrole-1-carboxylate
CasNumber:
5176-27-2
MolecularFormula:
C9H13NO2
MolecularWeight:
167.205
MdlNumber:
MFCD00209559
Smiles:
O=C(n1cccc1)OC(C)(C)C
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: AB43015
ChemicalName: 1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester
CasNumber: 864754-17-6
MolecularFormula: C13H21BN2O4
MolecularWeight: 280.1278
MdlNumber: MFCD08272028
Smiles: CC1(C)OB(OC1(C)C)c1cnn(c1)CC1OCCO1
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB43015
ChemicalName:
1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester
CasNumber:
864754-17-6
MolecularFormula:
C13H21BN2O4
MolecularWeight:
280.1278
MdlNumber:
MFCD08272028
Smiles:
CC1(C)OB(OC1(C)C)c1cnn(c1)CC1OCCO1
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC(CC1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 540
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(CC1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
540
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)C1(C)CCCCC1
Complexity: 132
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)C1(C)CCCCC1
Complexity:
132
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4