AI36029
1448855-35-3 | tert-Butyl 3-bromo-1h-pyrazole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI36029
ChemicalName
tert-Butyl 3-bromo-1h-pyrazole-1-carboxylate
CasNumber
1448855-35-3
MolecularFormula
C8H11BrN2O2
MolecularWeight
247.08913999999993
MdlNumber
MFCD25976492
Smiles
O=C(n1ccc(n1)Br)OC(C)(C)C
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AI36029
ChemicalName: tert-Butyl 3-bromo-1h-pyrazole-1-carboxylate
CasNumber: 1448855-35-3
MolecularFormula: C8H11BrN2O2
MolecularWeight: 247.08913999999993
MdlNumber: MFCD25976492
Smiles: O=C(n1ccc(n1)Br)OC(C)(C)C
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AI36029
ChemicalName:
tert-Butyl 3-bromo-1h-pyrazole-1-carboxylate
CasNumber:
1448855-35-3
MolecularFormula:
C8H11BrN2O2
MolecularWeight:
247.08913999999993
MdlNumber:
MFCD25976492
Smiles:
O=C(n1ccc(n1)Br)OC(C)(C)C
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: [O-][N+](=O)c1ccc(c(c1N)C(F)(F)F)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[O-][N+](=O)c1ccc(c(c1N)C(F)(F)F)N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: Nc1cc(cc(c1O)I)SC(F)(F)F
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Smiles:
Nc1cc(cc(c1O)I)SC(F)(F)F
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Smiles: C1CN[C@@H](C1)Cc1ccccc1.Cl
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Smiles:
C1CN[C@@H](C1)Cc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__