AE10958
1202993-11-0 | 5-Chloro-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE10958
ChemicalName
5-Chloro-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylic acid
CasNumber
1202993-11-0
MolecularFormula
C6H5ClF2N2O2
MolecularWeight
210.5659064
MdlNumber
MFCD12827693
Smiles
FC(c1nn(c(c1C(=O)O)Cl)C)F
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AE10958
ChemicalName: 5-Chloro-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylic acid
CasNumber: 1202993-11-0
MolecularFormula: C6H5ClF2N2O2
MolecularWeight: 210.5659064
MdlNumber: MFCD12827693
Smiles: FC(c1nn(c(c1C(=O)O)Cl)C)F
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AE10958
ChemicalName:
5-Chloro-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylic acid
CasNumber:
1202993-11-0
MolecularFormula:
C6H5ClF2N2O2
MolecularWeight:
210.5659064
MdlNumber:
MFCD12827693
Smiles:
FC(c1nn(c(c1C(=O)O)Cl)C)F
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AE10959
ChemicalName: 2-(Isopropylsulfonyl)aniline HCl
CasNumber: 1022968-46-2
MolecularFormula: C9H14ClNO2S
MolecularWeight: 235.731
MdlNumber: MFCD21333102
Smiles: Nc1ccccc1S(=O)(=O)C(C)C.Cl
Complexity: 253
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AE10959
ChemicalName:
2-(Isopropylsulfonyl)aniline HCl
CasNumber:
1022968-46-2
MolecularFormula:
C9H14ClNO2S
MolecularWeight:
235.731
MdlNumber:
MFCD21333102
Smiles:
Nc1ccccc1S(=O)(=O)C(C)C.Cl
Complexity:
253
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1S(=O)(=O)N)C[C@H](NC(=O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc(cc1S(=O)(=O)N)C[C@H](NC(=O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H](C1CC1)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCCC2=CC=C1C[C@H](C[C@@H](C1=C)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H](C1CC1)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCCC2=CC=C1C[C@H](C[C@@H](C1=C)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__