AI39655
1803321-00-7 | 3-Cyano-5-(trifluoromethoxy)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI39655
ChemicalName
3-Cyano-5-(trifluoromethoxy)phenylboronic acid, pinacol ester
CasNumber
1803321-00-7
MolecularFormula
C14H15BF3NO3
MolecularWeight
313.08
MdlNumber
MFCD18756761
Smiles
N#Cc1cc(cc(c1)OC(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity
456
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
7
RotatableBondCount
2
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CatalogNumber: AI39655
ChemicalName: 3-Cyano-5-(trifluoromethoxy)phenylboronic acid, pinacol ester
CasNumber: 1803321-00-7
MolecularFormula: C14H15BF3NO3
MolecularWeight: 313.08
MdlNumber: MFCD18756761
Smiles: N#Cc1cc(cc(c1)OC(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity: 456
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
CatalogNumber:
AI39655
ChemicalName:
3-Cyano-5-(trifluoromethoxy)phenylboronic acid, pinacol ester
CasNumber:
1803321-00-7
MolecularFormula:
C14H15BF3NO3
MolecularWeight:
313.08
MdlNumber:
MFCD18756761
Smiles:
N#Cc1cc(cc(c1)OC(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity:
456
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
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Smiles: O=C(c1ccccc1c1ccccc1)Nc1ccc(c(c1)Cl)C(=O)O
Complexity: __
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Smiles:
O=C(c1ccccc1c1ccccc1)Nc1ccc(c(c1)Cl)C(=O)O
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Smiles: CCOC(=O)c1cn2c(n1)ccc(c2)[N+](=O)[O-].Br
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Smiles:
CCOC(=O)c1cn2c(n1)ccc(c2)[N+](=O)[O-].Br
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: O=C1NC2CC(C1)N(C2)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC2CC(C1)N(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__