AB43011
386704-04-7 | 6-(Trifluoromethyl)pyridine-3-methanol
Manufacturer: A2B Chem
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CatalogNumber
AB43011
ChemicalName
6-(Trifluoromethyl)pyridine-3-methanol
CasNumber
386704-04-7
MolecularFormula
C7H6F3NO
MolecularWeight
177.1238
MdlNumber
MFCD01862648
Smiles
OCc1ccc(nc1)C(F)(F)F
Complexity
148
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AB43011
ChemicalName: 6-(Trifluoromethyl)pyridine-3-methanol
CasNumber: 386704-04-7
MolecularFormula: C7H6F3NO
MolecularWeight: 177.1238
MdlNumber: MFCD01862648
Smiles: OCc1ccc(nc1)C(F)(F)F
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AB43011
ChemicalName:
6-(Trifluoromethyl)pyridine-3-methanol
CasNumber:
386704-04-7
MolecularFormula:
C7H6F3NO
MolecularWeight:
177.1238
MdlNumber:
MFCD01862648
Smiles:
OCc1ccc(nc1)C(F)(F)F
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(F)(F)F)O[I](c1ccccc1)OC(=O)C(F)(F)F
Complexity: 360
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(F)(F)F)O[I](c1ccccc1)OC(=O)C(F)(F)F
Complexity:
360
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5
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
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
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
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
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.9