AF87928
408492-24-0 | 2,4,6-Trifluorobenzene-1,3,5-triboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AF87928
ChemicalName
2,4,6-Trifluorobenzene-1,3,5-triboronic acid, pinacol ester
CasNumber
408492-24-0
MolecularFormula
C24H36B3F3O6
MolecularWeight
509.9672
MdlNumber
MFCD12407207
Smiles
CC1(C)OB(OC1(C)C)c1c(F)c(B2OC(C(O2)(C)C)(C)C)c(c(c1F)B1OC(C(O1)(C)C)(C)C)F
Complexity
695
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
9
RotatableBondCount
3
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CatalogNumber: AF87928
ChemicalName: 2,4,6-Trifluorobenzene-1,3,5-triboronic acid, pinacol ester
CasNumber: 408492-24-0
MolecularFormula: C24H36B3F3O6
MolecularWeight: 509.9672
MdlNumber: MFCD12407207
Smiles: CC1(C)OB(OC1(C)C)c1c(F)c(B2OC(C(O2)(C)C)(C)C)c(c(c1F)B1OC(C(O1)(C)C)(C)C)F
Complexity: 695
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 9
RotatableBondCount: 3
CatalogNumber:
AF87928
ChemicalName:
2,4,6-Trifluorobenzene-1,3,5-triboronic acid, pinacol ester
CasNumber:
408492-24-0
MolecularFormula:
C24H36B3F3O6
MolecularWeight:
509.9672
MdlNumber:
MFCD12407207
Smiles:
CC1(C)OB(OC1(C)C)c1c(F)c(B2OC(C(O2)(C)C)(C)C)c(c(c1F)B1OC(C(O1)(C)C)(C)C)F
Complexity:
695
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
9
RotatableBondCount:
3
CatalogNumber: AF87929
ChemicalName: 1-Bromo-4-(butane-1-sulfonyl)benzene
CasNumber: 403793-28-2
MolecularFormula: C10H13BrO2S
MolecularWeight: 277.178
MdlNumber: MFCD01124707
Smiles: CCCCS(=O)(=O)c1ccc(cc1)Br
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
CatalogNumber:
AF87929
ChemicalName:
1-Bromo-4-(butane-1-sulfonyl)benzene
CasNumber:
403793-28-2
MolecularFormula:
C10H13BrO2S
MolecularWeight:
277.178
MdlNumber:
MFCD01124707
Smiles:
CCCCS(=O)(=O)c1ccc(cc1)Br
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
CatalogNumber: AF87931
ChemicalName: 5-Bromo-4-chloro-2-nitrobenzoic acid
CasNumber: 392319-07-2
MolecularFormula: C7H3BrClNO4
MolecularWeight: 280.46
MdlNumber: MFCD01098213
Smiles: OC(=O)c1cc(Br)c(cc1[N+](=O)[O-])Cl
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
CatalogNumber:
AF87931
ChemicalName:
5-Bromo-4-chloro-2-nitrobenzoic acid
CasNumber:
392319-07-2
MolecularFormula:
C7H3BrClNO4
MolecularWeight:
280.46
MdlNumber:
MFCD01098213
Smiles:
OC(=O)c1cc(Br)c(cc1[N+](=O)[O-])Cl
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CC1=CC(=C(C=C1)C)Br
Complexity: 90.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC1=CC(=C(C=C1)C)Br
Complexity:
90.6
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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