AI38651
1689509-92-9 | 2-Methyl-4-(trifluoromethyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI38651
ChemicalName
2-Methyl-4-(trifluoromethyl)phenylboronic acid, pinacol ester
CasNumber
1689509-92-9
MolecularFormula
C14H18BF3O2
MolecularWeight
286.0977295999999
MdlNumber
MFCD18729901
Smiles
Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F
Complexity
352
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
1
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CatalogNumber: AI38651
ChemicalName: 2-Methyl-4-(trifluoromethyl)phenylboronic acid, pinacol ester
CasNumber: 1689509-92-9
MolecularFormula: C14H18BF3O2
MolecularWeight: 286.0977295999999
MdlNumber: MFCD18729901
Smiles: Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
CatalogNumber:
AI38651
ChemicalName:
2-Methyl-4-(trifluoromethyl)phenylboronic acid, pinacol ester
CasNumber:
1689509-92-9
MolecularFormula:
C14H18BF3O2
MolecularWeight:
286.0977295999999
MdlNumber:
MFCD18729901
Smiles:
Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
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Smiles: [O-][N+](=O)c1cccc(c1)c1nncn1C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
[O-][N+](=O)c1cccc(c1)c1nncn1C
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: COc1ccc(cc1)c1nnc(n1CC)S
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccc(cc1)c1nnc(n1CC)S
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc(c1)c1nnc(n1C)S
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc(c1)c1nnc(n1C)S
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__