AX55001
2096337-98-1 | 3-Nitro-5-(trifluoromethyl)phenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AX55001
ChemicalName
3-Nitro-5-(trifluoromethyl)phenylboronic acid pinacol ester
CasNumber
2096337-98-1
MolecularFormula
C13H15BF3NO4
MolecularWeight
317.0687
MdlNumber
MFCD16996359
Smiles
[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity
434
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
7
RotatableBondCount
1
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CatalogNumber: AX55001
ChemicalName: 3-Nitro-5-(trifluoromethyl)phenylboronic acid pinacol ester
CasNumber: 2096337-98-1
MolecularFormula: C13H15BF3NO4
MolecularWeight: 317.0687
MdlNumber: MFCD16996359
Smiles: [O-][N+](=O)c1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity: 434
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
RotatableBondCount: 1
CatalogNumber:
AX55001
ChemicalName:
3-Nitro-5-(trifluoromethyl)phenylboronic acid pinacol ester
CasNumber:
2096337-98-1
MolecularFormula:
C13H15BF3NO4
MolecularWeight:
317.0687
MdlNumber:
MFCD16996359
Smiles:
[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity:
434
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)CS(=O)(=O)N(C)C
Complexity: 350
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)CS(=O)(=O)N(C)C
Complexity:
350
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1c(F)cc(cc1[N+](=O)[O-])C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1c(F)cc(cc1[N+](=O)[O-])C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)CS(=O)(=O)NC1CC1
Complexity: 375
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)CS(=O)(=O)NC1CC1
Complexity:
375
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__