AI39997
1810767-17-9 | 4-Nitro-2-(trifluoromethyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI39997
ChemicalName
4-Nitro-2-(trifluoromethyl)phenylboronic acid, pinacol ester
CasNumber
1810767-17-9
MolecularFormula
C13H15BF3NO4
MolecularWeight
317.0687
MdlNumber
MFCD16996358
Smiles
[O-][N+](=O)c1ccc(c(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: AI39997
ChemicalName: 4-Nitro-2-(trifluoromethyl)phenylboronic acid, pinacol ester
CasNumber: 1810767-17-9
MolecularFormula: C13H15BF3NO4
MolecularWeight: 317.0687
MdlNumber: MFCD16996358
Smiles: [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity: 434
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
RotatableBondCount: 1
CatalogNumber:
AI39997
ChemicalName:
4-Nitro-2-(trifluoromethyl)phenylboronic acid, pinacol ester
CasNumber:
1810767-17-9
MolecularFormula:
C13H15BF3NO4
MolecularWeight:
317.0687
MdlNumber:
MFCD16996358
Smiles:
[O-][N+](=O)c1ccc(c(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: OC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)NCC1CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)NCC1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AI39999
ChemicalName: 3-(5-Methoxy-1h-indol-1-yl)propanoic acid
CasNumber: 18108-87-7
MolecularFormula: C12H13NO3
MolecularWeight: 219.2365
MdlNumber: MFCD09848563
Smiles: COc1ccc2c(c1)ccn2CCC(=O)O
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
CatalogNumber:
AI39999
ChemicalName:
3-(5-Methoxy-1h-indol-1-yl)propanoic acid
CasNumber:
18108-87-7
MolecularFormula:
C12H13NO3
MolecularWeight:
219.2365
MdlNumber:
MFCD09848563
Smiles:
COc1ccc2c(c1)ccn2CCC(=O)O
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCn1ccc2c1cccc2Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCn1ccc2c1cccc2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__