AI64621
956477-64-8 | 1-(Difluoromethyl)-4-nitro-1H-pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AI64621
ChemicalName
1-(Difluoromethyl)-4-nitro-1H-pyrazole
CasNumber
956477-64-8
MolecularFormula
C4H3F2N3O2
MolecularWeight
163.0823
MdlNumber
MFCD04967412
Smiles
FC(n1ncc(c1)[N+](=O)[O-])F
Complexity
160
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AI64621
ChemicalName: 1-(Difluoromethyl)-4-nitro-1H-pyrazole
CasNumber: 956477-64-8
MolecularFormula: C4H3F2N3O2
MolecularWeight: 163.0823
MdlNumber: MFCD04967412
Smiles: FC(n1ncc(c1)[N+](=O)[O-])F
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AI64621
ChemicalName:
1-(Difluoromethyl)-4-nitro-1H-pyrazole
CasNumber:
956477-64-8
MolecularFormula:
C4H3F2N3O2
MolecularWeight:
163.0823
MdlNumber:
MFCD04967412
Smiles:
FC(n1ncc(c1)[N+](=O)[O-])F
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])n1cnc2c1ncnc2O.[Na+].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])n1cnc2c1ncnc2O.[Na+].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)([O-])[O-])[O-])n1cc(C)c(=O)[nH]c1=O.[Na+].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)([O-])[O-])[O-])n1cc(C)c(=O)[nH]c1=O.[Na+].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)NCc1ccnc2c1cc[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)NCc1ccnc2c1cc[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__