AG11355
38858-95-6 | 3(5)-tert-Butyl-4-nitro-1H-pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AG11355
ChemicalName
3(5)-tert-Butyl-4-nitro-1H-pyrazole
CasNumber
38858-95-6
MolecularFormula
C7H11N3O2
MolecularWeight
169.1811
MdlNumber
MFCD00127341
Smiles
[O-][N+](=O)c1c[nH]nc1C(C)(C)C
Complexity
182
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AG11355
ChemicalName: 3(5)-tert-Butyl-4-nitro-1H-pyrazole
CasNumber: 38858-95-6
MolecularFormula: C7H11N3O2
MolecularWeight: 169.1811
MdlNumber: MFCD00127341
Smiles: [O-][N+](=O)c1c[nH]nc1C(C)(C)C
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AG11355
ChemicalName:
3(5)-tert-Butyl-4-nitro-1H-pyrazole
CasNumber:
38858-95-6
MolecularFormula:
C7H11N3O2
MolecularWeight:
169.1811
MdlNumber:
MFCD00127341
Smiles:
[O-][N+](=O)c1c[nH]nc1C(C)(C)C
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC(=CCOC(=O)C)CCl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(=CCOC(=O)C)CCl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: C1=CC=C(C=C1)P(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
C1=CC=C(C=C1)P(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-][N+](=O)c1ccc(cc1)OP(=O)(Oc1ccc(cc1)[N+](=O)[O-])Oc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(cc1)OP(=O)(Oc1ccc(cc1)[N+](=O)[O-])Oc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__