AA92450
174180-42-8 | tert-Butyl 3-(bromomethyl)-1h-indazole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA92450
ChemicalName
tert-Butyl 3-(bromomethyl)-1h-indazole-1-carboxylate
CasNumber
174180-42-8
MolecularFormula
C13H15BrN2O2
MolecularWeight
311.1744
MdlNumber
MFCD18071024
Smiles
BrCc1nn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AA92450
ChemicalName: tert-Butyl 3-(bromomethyl)-1h-indazole-1-carboxylate
CasNumber: 174180-42-8
MolecularFormula: C13H15BrN2O2
MolecularWeight: 311.1744
MdlNumber: MFCD18071024
Smiles: BrCc1nn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AA92450
ChemicalName:
tert-Butyl 3-(bromomethyl)-1h-indazole-1-carboxylate
CasNumber:
174180-42-8
MolecularFormula:
C13H15BrN2O2
MolecularWeight:
311.1744
MdlNumber:
MFCD18071024
Smiles:
BrCc1nn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.4
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Smiles: CC[C@@H](NCc1ccc(cc1)OC)CO
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CC[C@@H](NCc1ccc(cc1)OC)CO
Complexity:
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Smiles: O=C1c2c(c(N)cc(c2O)S(=O)(=O)O)C(=O)c2c1c(O)c(cc2N)S(=O)(=O)O
Complexity: __
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Smiles:
O=C1c2c(c(N)cc(c2O)S(=O)(=O)O)C(=O)c2c1c(O)c(cc2N)S(=O)(=O)O
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__
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Smiles: COc1cc([N+](=O)[O-])c(c(c1OC)[N+](=O)[O-])[N+](=O)[O-]
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Smiles:
COc1cc([N+](=O)[O-])c(c(c1OC)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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