AE27052
1045795-70-7 | methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE27052
ChemicalName
methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate
CasNumber
1045795-70-7
MolecularFormula
C15H18BF3O4
MolecularWeight
330.1072
MdlNumber
MFCD19105387
Smiles
COC(=O)c1ccc(cc1C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity
448
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
7
RotatableBondCount
3
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CatalogNumber: AE27052
ChemicalName: methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate
CasNumber: 1045795-70-7
MolecularFormula: C15H18BF3O4
MolecularWeight: 330.1072
MdlNumber: MFCD19105387
Smiles: COC(=O)c1ccc(cc1C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity: 448
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
RotatableBondCount: 3
CatalogNumber:
AE27052
ChemicalName:
methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate
CasNumber:
1045795-70-7
MolecularFormula:
C15H18BF3O4
MolecularWeight:
330.1072
MdlNumber:
MFCD19105387
Smiles:
COC(=O)c1ccc(cc1C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity:
448
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
RotatableBondCount:
3
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Smiles: OB(c1cnc(nc1C(F)(F)F)N)O
Complexity: __
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Smiles:
OB(c1cnc(nc1C(F)(F)F)N)O
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: COCc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl
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Smiles:
COCc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1cnn(c1)CCN(C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1cnn(c1)CCN(C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__