AA96927
181517-75-9 | (E)-tert-Butyl 3-(pyridin-2-yl)acrylate
Manufacturer: A2B Chem
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CatalogNumber
AA96927
ChemicalName
(E)-tert-Butyl 3-(pyridin-2-yl)acrylate
CasNumber
181517-75-9
MolecularFormula
C12H15NO2
MolecularWeight
205.253
MdlNumber
MFCD22205823
Smiles
O=C(OC(C)(C)C)/C=C/c1ccccn1
Complexity
241
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AA96927
ChemicalName: (E)-tert-Butyl 3-(pyridin-2-yl)acrylate
CasNumber: 181517-75-9
MolecularFormula: C12H15NO2
MolecularWeight: 205.253
MdlNumber: MFCD22205823
Smiles: O=C(OC(C)(C)C)/C=C/c1ccccn1
Complexity: 241
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AA96927
ChemicalName:
(E)-tert-Butyl 3-(pyridin-2-yl)acrylate
CasNumber:
181517-75-9
MolecularFormula:
C12H15NO2
MolecularWeight:
205.253
MdlNumber:
MFCD22205823
Smiles:
O=C(OC(C)(C)C)/C=C/c1ccccn1
Complexity:
241
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1cc[15nH][13c](=O)[15nH]1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1cc[15nH][13c](=O)[15nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA96931
ChemicalName: 1-(7-Bromo-3,4-dihydroisoquinolin-2(1h)-yl)-2,2,2-trifluoroethanone
CasNumber: 181514-35-2
MolecularFormula: C11H9BrF3NO
MolecularWeight: 308.0945
MdlNumber: MFCD07644563
Smiles: O=C(C(F)(F)F)N1CCc2c(C1)cc(cc2)Br
Complexity: 308
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
AA96931
ChemicalName:
1-(7-Bromo-3,4-dihydroisoquinolin-2(1h)-yl)-2,2,2-trifluoroethanone
CasNumber:
181514-35-2
MolecularFormula:
C11H9BrF3NO
MolecularWeight:
308.0945
MdlNumber:
MFCD07644563
Smiles:
O=C(C(F)(F)F)N1CCc2c(C1)cc(cc2)Br
Complexity:
308
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)CN(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)CN(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__