AI56759
82231-59-2 | Ethyl (4-iodo-1h-pyrazol-1-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI56759
ChemicalName
Ethyl (4-iodo-1h-pyrazol-1-yl)acetate
CasNumber
82231-59-2
MolecularFormula
C7H9IN2O2
MolecularWeight
280.063
MdlNumber
MFCD11054036
Smiles
CCOC(=O)Cn1cc(cn1)I
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
1.3
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CatalogNumber: AI56759
ChemicalName: Ethyl (4-iodo-1h-pyrazol-1-yl)acetate
CasNumber: 82231-59-2
MolecularFormula: C7H9IN2O2
MolecularWeight: 280.063
MdlNumber: MFCD11054036
Smiles: CCOC(=O)Cn1cc(cn1)I
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AI56759
ChemicalName:
Ethyl (4-iodo-1h-pyrazol-1-yl)acetate
CasNumber:
82231-59-2
MolecularFormula:
C7H9IN2O2
MolecularWeight:
280.063
MdlNumber:
MFCD11054036
Smiles:
CCOC(=O)Cn1cc(cn1)I
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC[C@@H]1CCNC[C@H]1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC[C@@H]1CCNC[C@H]1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI56762
ChemicalName: 2-Mercaptothiazole
CasNumber: 82358-09-6
MolecularFormula: C3H3NS2
MolecularWeight: 117.1926
MdlNumber: MFCD00022449
Smiles: Sc1nccs1
Complexity: 97
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
AI56762
ChemicalName:
2-Mercaptothiazole
CasNumber:
82358-09-6
MolecularFormula:
C3H3NS2
MolecularWeight:
117.1926
MdlNumber:
MFCD00022449
Smiles:
Sc1nccs1
Complexity:
97
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(cc1N)Cl
Complexity: 255
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(cc1N)Cl
Complexity:
255
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8