AI55989
755030-94-5 | 2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI55989
ChemicalName
2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CasNumber
755030-94-5
MolecularFormula
C14H18BNO3
MolecularWeight
259.1086
MdlNumber
MFCD18732770
Smiles
COc1cc(ccc1C#N)B1OC(C(O1)(C)C)(C)C
Complexity
371
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
2
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CatalogNumber: AI55989
ChemicalName: 2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CasNumber: 755030-94-5
MolecularFormula: C14H18BNO3
MolecularWeight: 259.1086
MdlNumber: MFCD18732770
Smiles: COc1cc(ccc1C#N)B1OC(C(O1)(C)C)(C)C
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
CatalogNumber:
AI55989
ChemicalName:
2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CasNumber:
755030-94-5
MolecularFormula:
C14H18BNO3
MolecularWeight:
259.1086
MdlNumber:
MFCD18732770
Smiles:
COc1cc(ccc1C#N)B1OC(C(O1)(C)C)(C)C
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl
Complexity: 686
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:
CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl
Complexity:
686
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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CatalogNumber: AI55992
ChemicalName: (3R)-1-Ethylpyrrolidin-3-amine
CasNumber: 755039-92-0
MolecularFormula: C6H14N2
MolecularWeight: 114.1888
MdlNumber: MFCD17214740
Smiles: CCN1CC[C@H](C1)N
Complexity: 72.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
CatalogNumber:
AI55992
ChemicalName:
(3R)-1-Ethylpyrrolidin-3-amine
CasNumber:
755039-92-0
MolecularFormula:
C6H14N2
MolecularWeight:
114.1888
MdlNumber:
MFCD17214740
Smiles:
CCN1CC[C@H](C1)N
Complexity:
72.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CCCc1ccc2c(n1)N(CCC2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CCCc1ccc2c(n1)N(CCC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__