AB43013
27126-76-7 | [Hydroxy(tosyloxy)iodo]benzene
Manufacturer: A2B Chem
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CatalogNumber
AB43013
ChemicalName
[Hydroxy(tosyloxy)iodo]benzene
CasNumber
27126-76-7
MolecularFormula
C13H13IO4S
MolecularWeight
392.2094
MdlNumber
MFCD00011547
Smiles
Cc1ccc(cc1)S(=O)(=O)O[I](c1ccccc1)O
NscNumber
294176
Complexity
365
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.7
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CatalogNumber: AB43013
ChemicalName: [Hydroxy(tosyloxy)iodo]benzene
CasNumber: 27126-76-7
MolecularFormula: C13H13IO4S
MolecularWeight: 392.2094
MdlNumber: MFCD00011547
Smiles: Cc1ccc(cc1)S(=O)(=O)O[I](c1ccccc1)O
NscNumber: 294176
Complexity: 365
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.7
CatalogNumber:
AB43013
ChemicalName:
[Hydroxy(tosyloxy)iodo]benzene
CasNumber:
27126-76-7
MolecularFormula:
C13H13IO4S
MolecularWeight:
392.2094
MdlNumber:
MFCD00011547
Smiles:
Cc1ccc(cc1)S(=O)(=O)O[I](c1ccccc1)O
NscNumber:
294176
Complexity:
365
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.7
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
NscNumber: __
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
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
NscNumber:
__
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
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
NscNumber: __
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
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
NscNumber:
__
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
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
NscNumber: __
Complexity: 540
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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
NscNumber:
__
Complexity:
540
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__