AA08649
1021859-29-9 | 6-Bromo-1-methyl-1h-indazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA08649
ChemicalName
6-Bromo-1-methyl-1h-indazole-3-carboxylic acid
CasNumber
1021859-29-9
MolecularFormula
C9H7BrN2O2
MolecularWeight
255.0681
MdlNumber
MFCD15071436
Smiles
Brc1ccc2c(c1)n(C)nc2C(=O)O
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AA08649
ChemicalName: 6-Bromo-1-methyl-1h-indazole-3-carboxylic acid
CasNumber: 1021859-29-9
MolecularFormula: C9H7BrN2O2
MolecularWeight: 255.0681
MdlNumber: MFCD15071436
Smiles: Brc1ccc2c(c1)n(C)nc2C(=O)O
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AA08649
ChemicalName:
6-Bromo-1-methyl-1h-indazole-3-carboxylic acid
CasNumber:
1021859-29-9
MolecularFormula:
C9H7BrN2O2
MolecularWeight:
255.0681
MdlNumber:
MFCD15071436
Smiles:
Brc1ccc2c(c1)n(C)nc2C(=O)O
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: AA08651
ChemicalName: Boc-dl-tle-oh
CasNumber: 169870-82-0
MolecularFormula: C11H21NO4
MolecularWeight: 231.2887
MdlNumber: MFCD00057782
Smiles: O=C(OC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)O
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.3
CatalogNumber:
AA08651
ChemicalName:
Boc-dl-tle-oh
CasNumber:
169870-82-0
MolecularFormula:
C11H21NO4
MolecularWeight:
231.2887
MdlNumber:
MFCD00057782
Smiles:
O=C(OC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)O
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.3
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MolecularFormula: __
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Smiles: Fc1ccccc1NC(=O)c1cnc[nH]1
Complexity: __
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Smiles:
Fc1ccccc1NC(=O)c1cnc[nH]1
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Smiles: CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)C
Complexity: __
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MolecularFormula:
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Smiles:
CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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