AG78697
58793-45-6 | 1-Ethyl-4-nitro-1H-pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AG78697
ChemicalName
1-Ethyl-4-nitro-1H-pyrazole
CasNumber
58793-45-6
MolecularFormula
C5H7N3O2
MolecularWeight
141.128
MdlNumber
MFCD08559107
Smiles
[O-][N+](=O)c1cn(nc1)CC
Complexity
133
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
0.4
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CatalogNumber: AG78697
ChemicalName: 1-Ethyl-4-nitro-1H-pyrazole
CasNumber: 58793-45-6
MolecularFormula: C5H7N3O2
MolecularWeight: 141.128
MdlNumber: MFCD08559107
Smiles: [O-][N+](=O)c1cn(nc1)CC
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AG78697
ChemicalName:
1-Ethyl-4-nitro-1H-pyrazole
CasNumber:
58793-45-6
MolecularFormula:
C5H7N3O2
MolecularWeight:
141.128
MdlNumber:
MFCD08559107
Smiles:
[O-][N+](=O)c1cn(nc1)CC
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccnc(c1)OC(C)(C)C
Complexity: 139
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccnc(c1)OC(C)(C)C
Complexity:
139
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2n(c1)ccn2.Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2n(c1)ccn2.Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG78702
ChemicalName: 5-Methyl-2-nitrobenzonitrile
CasNumber: 64113-86-6
MolecularFormula: C8H6N2O2
MolecularWeight: 162.1454
MdlNumber: MFCD00267507
Smiles: N#Cc1cc(C)ccc1[N+](=O)[O-]
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AG78702
ChemicalName:
5-Methyl-2-nitrobenzonitrile
CasNumber:
64113-86-6
MolecularFormula:
C8H6N2O2
MolecularWeight:
162.1454
MdlNumber:
MFCD00267507
Smiles:
N#Cc1cc(C)ccc1[N+](=O)[O-]
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
1.8