AE61926
1352413-06-9 | Methyl 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE61926
ChemicalName
Methyl 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CasNumber
1352413-06-9
MolecularFormula
C15H18BNO4
MolecularWeight
287.1187
MdlNumber
MFCD18373989
Smiles
COC(=O)c1cc(cc(c1)C#N)B1OC(C(O1)(C)C)(C)C
Complexity
452
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
RotatableBondCount
3
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CatalogNumber: AE61926
ChemicalName: Methyl 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CasNumber: 1352413-06-9
MolecularFormula: C15H18BNO4
MolecularWeight: 287.1187
MdlNumber: MFCD18373989
Smiles: COC(=O)c1cc(cc(c1)C#N)B1OC(C(O1)(C)C)(C)C
Complexity: 452
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
CatalogNumber:
AE61926
ChemicalName:
Methyl 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CasNumber:
1352413-06-9
MolecularFormula:
C15H18BNO4
MolecularWeight:
287.1187
MdlNumber:
MFCD18373989
Smiles:
COC(=O)c1cc(cc(c1)C#N)B1OC(C(O1)(C)C)(C)C
Complexity:
452
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
CatalogNumber: AE61928
ChemicalName: 4-(BOC-Amino)-1-butanoylpiperidine
CasNumber: 1352318-26-3
MolecularFormula: C14H26N2O3
MolecularWeight: 270.3678
MdlNumber: MFCD20529528
Smiles: CCCC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
CatalogNumber:
AE61928
ChemicalName:
4-(BOC-Amino)-1-butanoylpiperidine
CasNumber:
1352318-26-3
MolecularFormula:
C14H26N2O3
MolecularWeight:
270.3678
MdlNumber:
MFCD20529528
Smiles:
CCCC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
CatalogNumber: AE61929
ChemicalName: 2-(3-Fluorophenyl)benzonitrile
CasNumber: 1352318-38-7
MolecularFormula: C13H8FN
MolecularWeight: 197.2077
MdlNumber: MFCD05980284
Smiles: N#Cc1ccccc1c1cccc(c1)F
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
CatalogNumber:
AE61929
ChemicalName:
2-(3-Fluorophenyl)benzonitrile
CasNumber:
1352318-38-7
MolecularFormula:
C13H8FN
MolecularWeight:
197.2077
MdlNumber:
MFCD05980284
Smiles:
N#Cc1ccccc1c1cccc(c1)F
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Clc1ccc(c(n1)C)c1ccc(cc1)C(=O)O
Complexity: 277
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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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:
Clc1ccc(c(n1)C)c1ccc(cc1)C(=O)O
Complexity:
277
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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