AD68751
1072945-94-8 | 3-(2-Nitro-4-trifluoromethylphenoxy)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AD68751
ChemicalName
3-(2-Nitro-4-trifluoromethylphenoxy)phenylboronic acid
CasNumber
1072945-94-8
MolecularFormula
C13H9BF3NO5
MolecularWeight
327.0205
MdlNumber
MFCD09972104
Smiles
OB(c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)O
Complexity
417
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AD68751
ChemicalName: 3-(2-Nitro-4-trifluoromethylphenoxy)phenylboronic acid
CasNumber: 1072945-94-8
MolecularFormula: C13H9BF3NO5
MolecularWeight: 327.0205
MdlNumber: MFCD09972104
Smiles: OB(c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)O
Complexity: 417
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AD68751
ChemicalName:
3-(2-Nitro-4-trifluoromethylphenoxy)phenylboronic acid
CasNumber:
1072945-94-8
MolecularFormula:
C13H9BF3NO5
MolecularWeight:
327.0205
MdlNumber:
MFCD09972104
Smiles:
OB(c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)O
Complexity:
417
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc2c(c1)n(C)cn2)O
Complexity: 191
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc2c(c1)n(C)cn2)O
Complexity:
191
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AD68753
ChemicalName: 4-(Carboxymethoxy)phenylboronic acid
CasNumber: 1072945-84-6
MolecularFormula: C8H9BO5
MolecularWeight: 195.9651
MdlNumber: MFCD03425920
Smiles: OC(=O)COc1ccc(cc1)B(O)O
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
CatalogNumber:
AD68753
ChemicalName:
4-(Carboxymethoxy)phenylboronic acid
CasNumber:
1072945-84-6
MolecularFormula:
C8H9BO5
MolecularWeight:
195.9651
MdlNumber:
MFCD03425920
Smiles:
OC(=O)COc1ccc(cc1)B(O)O
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
CatalogNumber: AD68754
ChemicalName: 3-Fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenylboronic acid
CasNumber: 1072945-71-1
MolecularFormula: C9H8BFN2O3
MolecularWeight: 221.9808
MdlNumber: MFCD09972094
Smiles: Cc1nnc(o1)c1ccc(cc1F)B(O)O
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AD68754
ChemicalName:
3-Fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenylboronic acid
CasNumber:
1072945-71-1
MolecularFormula:
C9H8BFN2O3
MolecularWeight:
221.9808
MdlNumber:
MFCD09972094
Smiles:
Cc1nnc(o1)c1ccc(cc1F)B(O)O
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2