AI35614
1434142-09-2 | Methyl 5-bromo-1-(tetrahydropyran-2-yl)-1h-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI35614
ChemicalName
Methyl 5-bromo-1-(tetrahydropyran-2-yl)-1h-pyrazole-4-carboxylate
CasNumber
1434142-09-2
MolecularFormula
C10H13BrN2O3
MolecularWeight
289.1258
MdlNumber
MFCD26959101
Smiles
COC(=O)c1cnn(c1Br)C1CCCCO1
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AI35614
ChemicalName: Methyl 5-bromo-1-(tetrahydropyran-2-yl)-1h-pyrazole-4-carboxylate
CasNumber: 1434142-09-2
MolecularFormula: C10H13BrN2O3
MolecularWeight: 289.1258
MdlNumber: MFCD26959101
Smiles: COC(=O)c1cnn(c1Br)C1CCCCO1
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AI35614
ChemicalName:
Methyl 5-bromo-1-(tetrahydropyran-2-yl)-1h-pyrazole-4-carboxylate
CasNumber:
1434142-09-2
MolecularFormula:
C10H13BrN2O3
MolecularWeight:
289.1258
MdlNumber:
MFCD26959101
Smiles:
COC(=O)c1cnn(c1Br)C1CCCCO1
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
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Smiles: COC(=O)c1ccc2c(c1)nn(c2Br)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
COC(=O)c1ccc2c(c1)nn(c2Br)C
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: OCc1ncc(s1)C(F)(F)F
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Smiles:
OCc1ncc(s1)C(F)(F)F
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CNC1CN(CC(C1)(F)F)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CNC1CN(CC(C1)(F)F)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__