AD74474
1203662-37-6 | tert-Butyl 4-bromo-1h-indazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD74474
ChemicalName
tert-Butyl 4-bromo-1h-indazole-5-carboxylate
CasNumber
1203662-37-6
MolecularFormula
C12H13BrN2O2
MolecularWeight
297.1478
MdlNumber
MFCD22572308
Smiles
O=C(c1ccc2c(c1Br)cn[nH]2)OC(C)(C)C
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AD74474
ChemicalName: tert-Butyl 4-bromo-1h-indazole-5-carboxylate
CasNumber: 1203662-37-6
MolecularFormula: C12H13BrN2O2
MolecularWeight: 297.1478
MdlNumber: MFCD22572308
Smiles: O=C(c1ccc2c(c1Br)cn[nH]2)OC(C)(C)C
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AD74474
ChemicalName:
tert-Butyl 4-bromo-1h-indazole-5-carboxylate
CasNumber:
1203662-37-6
MolecularFormula:
C12H13BrN2O2
MolecularWeight:
297.1478
MdlNumber:
MFCD22572308
Smiles:
O=C(c1ccc2c(c1Br)cn[nH]2)OC(C)(C)C
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
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Smiles: O=C(c1cc(cc(c1)C(=O)Nc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1)C(=O)O)Nc1ccc(cc1)C(=O)O
Complexity: __
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Smiles:
O=C(c1cc(cc(c1)C(=O)Nc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1)C(=O)O)Nc1ccc(cc1)C(=O)O
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RotatableBondCount:
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Smiles: O=[Pd]=O
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Smiles:
O=[Pd]=O
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Smiles: NC(=O)c1cccc2c1cn[nH]2
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Smiles:
NC(=O)c1cccc2c1cn[nH]2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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