AI49025
367-67-9 | 2-Bromo-5-nitrobenzotrifluoride
Manufacturer: A2B Chem
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CatalogNumber
AI49025
ChemicalName
2-Bromo-5-nitrobenzotrifluoride
CasNumber
367-67-9
MolecularFormula
C7H3BrF3NO2
MolecularWeight
270.0034296
MdlNumber
MFCD00014707
Smiles
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)Br
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
Xlogp3
3.3
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CatalogNumber: AI49025
ChemicalName: 2-Bromo-5-nitrobenzotrifluoride
CasNumber: 367-67-9
MolecularFormula: C7H3BrF3NO2
MolecularWeight: 270.0034296
MdlNumber: MFCD00014707
Smiles: [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)Br
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
Xlogp3: 3.3
CatalogNumber:
AI49025
ChemicalName:
2-Bromo-5-nitrobenzotrifluoride
CasNumber:
367-67-9
MolecularFormula:
C7H3BrF3NO2
MolecularWeight:
270.0034296
MdlNumber:
MFCD00014707
Smiles:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)Br
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
Xlogp3:
3.3
CatalogNumber: AI49026
ChemicalName: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(propan-2-ylsulfanyl)oxane-3,4,5-triol
CasNumber: 367-93-1
MolecularFormula: C9H18O5S
MolecularWeight: 238.30121999999997
MdlNumber: MFCD00063273
Smiles: OC[C@H]1O[C@@H](SC(C)C)[C@@H]([C@H]([C@H]1O)O)O
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
Xlogp3: -0.5
CatalogNumber:
AI49026
ChemicalName:
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(propan-2-ylsulfanyl)oxane-3,4,5-triol
CasNumber:
367-93-1
MolecularFormula:
C9H18O5S
MolecularWeight:
238.30121999999997
MdlNumber:
MFCD00063273
Smiles:
OC[C@H]1O[C@@H](SC(C)C)[C@@H]([C@H]([C@H]1O)O)O
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
Xlogp3:
-0.5
CatalogNumber: __
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Smiles: COc1ccc(cc1)n1ncc2c(c1=O)cccc2
Complexity: __
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Smiles:
COc1ccc(cc1)n1ncc2c(c1=O)cccc2
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HydrogenBondAcceptorCount:
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Smiles: CCOC(=O)C1C(C)CC(=O)CC1C
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Smiles:
CCOC(=O)C1C(C)CC(=O)CC1C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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