AA58841
138786-86-4 | Methyl 4-nitro-1H-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA58841
ChemicalName
Methyl 4-nitro-1H-pyrazole-3-carboxylate
CasNumber
138786-86-4
MolecularFormula
C5H5N3O4
MolecularWeight
171.1109
MdlNumber
MFCD00505604
Smiles
[O-][N+](=O)c1c[nH]nc1C(=O)OC
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AA58841
ChemicalName: Methyl 4-nitro-1H-pyrazole-3-carboxylate
CasNumber: 138786-86-4
MolecularFormula: C5H5N3O4
MolecularWeight: 171.1109
MdlNumber: MFCD00505604
Smiles: [O-][N+](=O)c1c[nH]nc1C(=O)OC
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AA58841
ChemicalName:
Methyl 4-nitro-1H-pyrazole-3-carboxylate
CasNumber:
138786-86-4
MolecularFormula:
C5H5N3O4
MolecularWeight:
171.1109
MdlNumber:
MFCD00505604
Smiles:
[O-][N+](=O)c1c[nH]nc1C(=O)OC
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AA58842
ChemicalName: 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methane]sulfinyl}-1-sodio-1H-1,3-benzodiazole
CasNumber: 138786-67-1
MolecularFormula: C16H15F2N3NaO4S
MolecularWeight: 406.3596
MdlNumber: MFCD08704580
Smiles: COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F.[Na]
Complexity: 497
Covalently-bondedUnitCount: 2
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: __
CatalogNumber:
AA58842
ChemicalName:
5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methane]sulfinyl}-1-sodio-1H-1,3-benzodiazole
CasNumber:
138786-67-1
MolecularFormula:
C16H15F2N3NaO4S
MolecularWeight:
406.3596
MdlNumber:
MFCD08704580
Smiles:
COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F.[Na]
Complexity:
497
Covalently-bondedUnitCount:
2
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
__
CatalogNumber: AA58843
ChemicalName: Methyl 2-(bromomethyl)-5-fluorobenzoate
CasNumber: 138786-65-9
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.061
MdlNumber: MFCD04114323
Smiles: COC(=O)c1cc(F)ccc1CBr
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AA58843
ChemicalName:
Methyl 2-(bromomethyl)-5-fluorobenzoate
CasNumber:
138786-65-9
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.061
MdlNumber:
MFCD04114323
Smiles:
COC(=O)c1cc(F)ccc1CBr
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)C#Cc1cccc(c1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)C#Cc1cccc(c1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__