AF87770
342601-67-6 | tert-Butyl (2E)-3-(pyridin-2-yl)prop-2-enoate
Manufacturer: A2B Chem
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CatalogNumber
AF87770
ChemicalName
tert-Butyl (2E)-3-(pyridin-2-yl)prop-2-enoate
CasNumber
342601-67-6
MolecularFormula
C12H15NO2
MolecularWeight
205.2530
MdlNumber
MFCD22205823
Smiles
CC(C)(C)OC(=O)C=CC1=CC=CC=N1
Complexity
241
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AF87770
ChemicalName: tert-Butyl (2E)-3-(pyridin-2-yl)prop-2-enoate
CasNumber: 342601-67-6
MolecularFormula: C12H15NO2
MolecularWeight: 205.2530
MdlNumber: MFCD22205823
Smiles: CC(C)(C)OC(=O)C=CC1=CC=CC=N1
Complexity: 241
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AF87770
ChemicalName:
tert-Butyl (2E)-3-(pyridin-2-yl)prop-2-enoate
CasNumber:
342601-67-6
MolecularFormula:
C12H15NO2
MolecularWeight:
205.2530
MdlNumber:
MFCD22205823
Smiles:
CC(C)(C)OC(=O)C=CC1=CC=CC=N1
Complexity:
241
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: AF87772
ChemicalName: 5-Bromo-3-nitropyridine-2-carboxamide
CasNumber: 412035-35-9
MolecularFormula: C6H4BrN3O3
MolecularWeight: 246.0183
MdlNumber: MFCD22383769
Smiles: [O-][N+](=O)c1cc(Br)cnc1C(=O)N
Complexity: 230
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AF87772
ChemicalName:
5-Bromo-3-nitropyridine-2-carboxamide
CasNumber:
412035-35-9
MolecularFormula:
C6H4BrN3O3
MolecularWeight:
246.0183
MdlNumber:
MFCD22383769
Smiles:
[O-][N+](=O)c1cc(Br)cnc1C(=O)N
Complexity:
230
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: AF87773
ChemicalName: 4-Chloro-N-cyclopropylbenzenesulfonamide
CasNumber: 354128-89-5
MolecularFormula: C9H10ClNO2S
MolecularWeight: 231.6992
MdlNumber: MFCD02071679
Smiles: Clc1ccc(cc1)S(=O)(=O)NC1CC1
Complexity: 286
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AF87773
ChemicalName:
4-Chloro-N-cyclopropylbenzenesulfonamide
CasNumber:
354128-89-5
MolecularFormula:
C9H10ClNO2S
MolecularWeight:
231.6992
MdlNumber:
MFCD02071679
Smiles:
Clc1ccc(cc1)S(=O)(=O)NC1CC1
Complexity:
286
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AF87774
ChemicalName: 2-Bromo-5-fluoro-4-methylanisole
CasNumber: 314298-15-2
MolecularFormula: C8H8BrFO
MolecularWeight: 219.0509
MdlNumber: MFCD15527526
Smiles: COc1cc(F)c(cc1Br)C
Complexity: 131
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AF87774
ChemicalName:
2-Bromo-5-fluoro-4-methylanisole
CasNumber:
314298-15-2
MolecularFormula:
C8H8BrFO
MolecularWeight:
219.0509
MdlNumber:
MFCD15527526
Smiles:
COc1cc(F)c(cc1Br)C
Complexity:
131
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3