AC21783
84547-87-5 | 4-Chloro-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC21783
ChemicalName
4-Chloro-1h-pyrazole-3-carboxylic acid
CasNumber
84547-87-5
MolecularFormula
C4H3ClN2O2
MolecularWeight
146.5318
MdlNumber
MFCD01459881
Smiles
OC(=O)c1c(Cl)cn[nH]1
Complexity
130
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AC21783
ChemicalName: 4-Chloro-1h-pyrazole-3-carboxylic acid
CasNumber: 84547-87-5
MolecularFormula: C4H3ClN2O2
MolecularWeight: 146.5318
MdlNumber: MFCD01459881
Smiles: OC(=O)c1c(Cl)cn[nH]1
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AC21783
ChemicalName:
4-Chloro-1h-pyrazole-3-carboxylic acid
CasNumber:
84547-87-5
MolecularFormula:
C4H3ClN2O2
MolecularWeight:
146.5318
MdlNumber:
MFCD01459881
Smiles:
OC(=O)c1c(Cl)cn[nH]1
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
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MolecularFormula: __
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Smiles: NC(=N)CSc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
NC(=N)CSc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCC(=O)O.OCC(CO)(CO)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC(=O)O.OCC(CO)(CO)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COC(=O)c1ccccc1NC(=O)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccccc1NC(=O)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__