AA99623
176969-34-9 | 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA99623
ChemicalName
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CasNumber
176969-34-9
MolecularFormula
C6H6F2N2O2
MolecularWeight
176.1208
MdlNumber
MFCD11865267
Smiles
Cn1nc(c(c1)C(=O)O)C(F)F
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.4
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CatalogNumber: AA99623
ChemicalName: 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CasNumber: 176969-34-9
MolecularFormula: C6H6F2N2O2
MolecularWeight: 176.1208
MdlNumber: MFCD11865267
Smiles: Cn1nc(c(c1)C(=O)O)C(F)F
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AA99623
ChemicalName:
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CasNumber:
176969-34-9
MolecularFormula:
C6H6F2N2O2
MolecularWeight:
176.1208
MdlNumber:
MFCD11865267
Smiles:
Cn1nc(c(c1)C(=O)O)C(F)F
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.4
CatalogNumber: AA99624
ChemicalName: Ethyl 2-(ethoxymethylene)-4,4-difluoro-3-oxobutanoate
CasNumber: 176969-33-8
MolecularFormula: C9H12F2O4
MolecularWeight: 222.18598640000005
MdlNumber: MFCD10567161
Smiles: CCO/C=C(\C(=O)C(F)F)/C(=O)OCC
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 1.8
CatalogNumber:
AA99624
ChemicalName:
Ethyl 2-(ethoxymethylene)-4,4-difluoro-3-oxobutanoate
CasNumber:
176969-33-8
MolecularFormula:
C9H12F2O4
MolecularWeight:
222.18598640000005
MdlNumber:
MFCD10567161
Smiles:
CCO/C=C(\C(=O)C(F)F)/C(=O)OCC
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
1.8
CatalogNumber: AA99625
ChemicalName: 5-Bromo-8-nitroquinoline
CasNumber: 176967-80-9
MolecularFormula: C9H5BrN2O2
MolecularWeight: 253.0522
MdlNumber: MFCD00466078
Smiles: [O-][N+](=O)c1ccc(c2c1nccc2)Br
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
AA99625
ChemicalName:
5-Bromo-8-nitroquinoline
CasNumber:
176967-80-9
MolecularFormula:
C9H5BrN2O2
MolecularWeight:
253.0522
MdlNumber:
MFCD00466078
Smiles:
[O-][N+](=O)c1ccc(c2c1nccc2)Br
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1Br)C(=O)N
Complexity: 174
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1Br)C(=O)N
Complexity:
174
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8