AE20239
1050424-03-7 | 4-Borono-2-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE20239
ChemicalName
4-Borono-2-(trifluoromethyl)benzoic acid
CasNumber
1050424-03-7
MolecularFormula
C8H6BF3O4
MolecularWeight
233.937
MdlNumber
MFCD11856032
Smiles
OB(c1ccc(c(c1)C(F)(F)F)C(=O)O)O
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
2
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CatalogNumber: AE20239
ChemicalName: 4-Borono-2-(trifluoromethyl)benzoic acid
CasNumber: 1050424-03-7
MolecularFormula: C8H6BF3O4
MolecularWeight: 233.937
MdlNumber: MFCD11856032
Smiles: OB(c1ccc(c(c1)C(F)(F)F)C(=O)O)O
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AE20239
ChemicalName:
4-Borono-2-(trifluoromethyl)benzoic acid
CasNumber:
1050424-03-7
MolecularFormula:
C8H6BF3O4
MolecularWeight:
233.937
MdlNumber:
MFCD11856032
Smiles:
OB(c1ccc(c(c1)C(F)(F)F)C(=O)O)O
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NCC1CCCO1
Complexity: 444
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NCC1CCCO1
Complexity:
444
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AE20241
ChemicalName: 4-(4-Nitrophenoxy)phenylboronic acid
CasNumber: 1072945-82-4
MolecularFormula: C12H10BNO5
MolecularWeight: 259.0225
MdlNumber: MFCD10699618
Smiles: OB(c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-])O
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AE20241
ChemicalName:
4-(4-Nitrophenoxy)phenylboronic acid
CasNumber:
1072945-82-4
MolecularFormula:
C12H10BNO5
MolecularWeight:
259.0225
MdlNumber:
MFCD10699618
Smiles:
OB(c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-])O
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc(cc1)NS(=O)(=O)C1CC1)O
Complexity: 328
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc(cc1)NS(=O)(=O)C1CC1)O
Complexity:
328
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__