AA84436
162651-07-2 | 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA84436
ChemicalName
2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CasNumber
162651-07-2
MolecularFormula
C5HBrF3NO2S
MolecularWeight
276.0311
MdlNumber
MFCD09264552
Smiles
Brc1sc(c(n1)C(F)(F)F)C(=O)O
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AA84436
ChemicalName: 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CasNumber: 162651-07-2
MolecularFormula: C5HBrF3NO2S
MolecularWeight: 276.0311
MdlNumber: MFCD09264552
Smiles: Brc1sc(c(n1)C(F)(F)F)C(=O)O
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AA84436
ChemicalName:
2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CasNumber:
162651-07-2
MolecularFormula:
C5HBrF3NO2S
MolecularWeight:
276.0311
MdlNumber:
MFCD09264552
Smiles:
Brc1sc(c(n1)C(F)(F)F)C(=O)O
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.8
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Smiles: CC(=O)Nc1ccc(cc1)C(=O)C(O)O
Complexity: __
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HeavyAtomCount: __
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Smiles:
CC(=O)Nc1ccc(cc1)C(=O)C(O)O
Complexity:
__
Covalently-bondedUnitCount:
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__
HydrogenBondAcceptorCount:
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Smiles: Oc1c2C=CC(Oc2cc2c1c(=O)c1c(o2)c(O)ccc1)(C)C
Complexity: __
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Smiles:
Oc1c2C=CC(Oc2cc2c1c(=O)c1c(o2)c(O)ccc1)(C)C
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RotatableBondCount:
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__
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Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__