AC78283
957062-58-7 | 4-(2-Nitro-4-(trifluoromethyl)phenoxy)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AC78283
ChemicalName
4-(2-Nitro-4-(trifluoromethyl)phenoxy)phenylboronic acid
CasNumber
957062-58-7
MolecularFormula
C13H9BF3NO5
MolecularWeight
327.0204696
MdlNumber
MFCD09800896
Smiles
OB(c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)O
Complexity
409
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AC78283
ChemicalName: 4-(2-Nitro-4-(trifluoromethyl)phenoxy)phenylboronic acid
CasNumber: 957062-58-7
MolecularFormula: C13H9BF3NO5
MolecularWeight: 327.0204696
MdlNumber: MFCD09800896
Smiles: OB(c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)O
Complexity: 409
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AC78283
ChemicalName:
4-(2-Nitro-4-(trifluoromethyl)phenoxy)phenylboronic acid
CasNumber:
957062-58-7
MolecularFormula:
C13H9BF3NO5
MolecularWeight:
327.0204696
MdlNumber:
MFCD09800896
Smiles:
OB(c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)O
Complexity:
409
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AC78284
ChemicalName: 2-Chloro-3-(trifluoromethyl)phenylboronic acid
CasNumber: 957061-11-9
MolecularFormula: C7H5BClF3O2
MolecularWeight: 224.3726
MdlNumber: MFCD09258745
Smiles: OB(c1cccc(c1Cl)C(F)(F)F)O
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AC78284
ChemicalName:
2-Chloro-3-(trifluoromethyl)phenylboronic acid
CasNumber:
957061-11-9
MolecularFormula:
C7H5BClF3O2
MolecularWeight:
224.3726
MdlNumber:
MFCD09258745
Smiles:
OB(c1cccc(c1Cl)C(F)(F)F)O
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: AC78285
ChemicalName: 3-Borono-N-(2,3-dimethylphenyl)benzamide
CasNumber: 957060-99-0
MolecularFormula: C15H16BNO3
MolecularWeight: 269.1034
MdlNumber: MFCD09027262
Smiles: O=C(c1cccc(c1)B(O)O)Nc1cccc(c1C)C
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AC78285
ChemicalName:
3-Borono-N-(2,3-dimethylphenyl)benzamide
CasNumber:
957060-99-0
MolecularFormula:
C15H16BNO3
MolecularWeight:
269.1034
MdlNumber:
MFCD09027262
Smiles:
O=C(c1cccc(c1)B(O)O)Nc1cccc(c1C)C
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
3
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Smiles: S=C(N(CC(Cc1ccc(c(c1)C)C)COC(=O)C(C)(C)C)O)NCc1ccc(c(c1)F)NS(=O)(=O)C
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Smiles:
S=C(N(CC(Cc1ccc(c(c1)C)C)COC(=O)C(C)(C)C)O)NCc1ccc(c(c1)F)NS(=O)(=O)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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