AA86090
81190-89-8 | Methyl 4-bromo-1h-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA86090
ChemicalName
Methyl 4-bromo-1h-pyrazole-3-carboxylate
CasNumber
81190-89-8
MolecularFormula
C5H5BrN2O2
MolecularWeight
205.0094
MdlNumber
MFCD00619124
Smiles
COC(=O)c1n[nH]cc1Br
Complexity
142
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AA86090
ChemicalName: Methyl 4-bromo-1h-pyrazole-3-carboxylate
CasNumber: 81190-89-8
MolecularFormula: C5H5BrN2O2
MolecularWeight: 205.0094
MdlNumber: MFCD00619124
Smiles: COC(=O)c1n[nH]cc1Br
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AA86090
ChemicalName:
Methyl 4-bromo-1h-pyrazole-3-carboxylate
CasNumber:
81190-89-8
MolecularFormula:
C5H5BrN2O2
MolecularWeight:
205.0094
MdlNumber:
MFCD00619124
Smiles:
COC(=O)c1n[nH]cc1Br
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1C(=O)Nc1ccccc1O)[N+](=O)[O-]
Complexity: 374
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1C(=O)Nc1ccccc1O)[N+](=O)[O-]
Complexity:
374
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc2c(c1)c(=O)[nH]c(=O)[nH]2
Complexity: 257
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc2c(c1)c(=O)[nH]c(=O)[nH]2
Complexity:
257
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=Nc2c(C1(C)C)cccc2
Complexity: 215
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=Nc2c(C1(C)C)cccc2
Complexity:
215
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3