AI66010
1383985-45-2 | 3-Cyano-4-fluoro-5-methoxyphenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI66010
ChemicalName
3-Cyano-4-fluoro-5-methoxyphenylboronic acid pinacol ester
CasNumber
1383985-45-2
MolecularFormula
C14H17BFNO3
MolecularWeight
277.0991
MdlNumber
MFCD27981320
Smiles
COc1cc(cc(c1F)C#N)B1OC(C(O1)(C)C)(C)C
Complexity
404
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
2
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CatalogNumber: AI66010
ChemicalName: 3-Cyano-4-fluoro-5-methoxyphenylboronic acid pinacol ester
CasNumber: 1383985-45-2
MolecularFormula: C14H17BFNO3
MolecularWeight: 277.0991
MdlNumber: MFCD27981320
Smiles: COc1cc(cc(c1F)C#N)B1OC(C(O1)(C)C)(C)C
Complexity: 404
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
CatalogNumber:
AI66010
ChemicalName:
3-Cyano-4-fluoro-5-methoxyphenylboronic acid pinacol ester
CasNumber:
1383985-45-2
MolecularFormula:
C14H17BFNO3
MolecularWeight:
277.0991
MdlNumber:
MFCD27981320
Smiles:
COc1cc(cc(c1F)C#N)B1OC(C(O1)(C)C)(C)C
Complexity:
404
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCc1cn(nc1C(F)(F)F)C
Complexity: 186
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OCCCc1cn(nc1C(F)(F)F)C
Complexity:
186
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@]12CCC(C[C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O[Si](C(C)(C)C)(C)C)(C)C
Complexity: 1100
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)[C@@]12CCC(C[C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O[Si](C(C)(C)C)(C)C)(C)C
Complexity:
1100
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOCCOc1nn(c(n1)c1cccc(c1)OC)c1ccc(cc1)NC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity: 731
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOCCOc1nn(c(n1)c1cccc(c1)OC)c1ccc(cc1)NC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity:
731
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__