AG32970
446-74-2 | 2-(3-Fluorophenyl)-3-oxobutanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AG32970
ChemicalName
2-(3-Fluorophenyl)-3-oxobutanenitrile
CasNumber
446-74-2
MolecularFormula
C10H8FNO
MolecularWeight
177.175
MdlNumber
MFCD11208702
Smiles
N#CC(c1cccc(c1)F)C(=O)C
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AG32970
ChemicalName: 2-(3-Fluorophenyl)-3-oxobutanenitrile
CasNumber: 446-74-2
MolecularFormula: C10H8FNO
MolecularWeight: 177.175
MdlNumber: MFCD11208702
Smiles: N#CC(c1cccc(c1)F)C(=O)C
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AG32970
ChemicalName:
2-(3-Fluorophenyl)-3-oxobutanenitrile
CasNumber:
446-74-2
MolecularFormula:
C10H8FNO
MolecularWeight:
177.175
MdlNumber:
MFCD11208702
Smiles:
N#CC(c1cccc(c1)F)C(=O)C
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: AG32971
ChemicalName: 4-[(4-Fluorophenyl)carbonyl]benzonitrile
CasNumber: 54978-50-6
MolecularFormula: C14H8FNO
MolecularWeight: 225.2178
MdlNumber: MFCD21609715
Smiles: N#Cc1ccc(cc1)C(=O)c1ccc(cc1)F
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 3
CatalogNumber:
AG32971
ChemicalName:
4-[(4-Fluorophenyl)carbonyl]benzonitrile
CasNumber:
54978-50-6
MolecularFormula:
C14H8FNO
MolecularWeight:
225.2178
MdlNumber:
MFCD21609715
Smiles:
N#Cc1ccc(cc1)C(=O)c1ccc(cc1)F
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
3
CatalogNumber: AG32973
ChemicalName: 3-Methoxy-5-trifluoromethylphenylboronic acid, pinacol ester
CasNumber: 479411-93-3
MolecularFormula: C14H18BF3O3
MolecularWeight: 302.0971
MdlNumber: MFCD11846463
Smiles: COc1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AG32973
ChemicalName:
3-Methoxy-5-trifluoromethylphenylboronic acid, pinacol ester
CasNumber:
479411-93-3
MolecularFormula:
C14H18BF3O3
MolecularWeight:
302.0971
MdlNumber:
MFCD11846463
Smiles:
COc1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AG32974
ChemicalName: 4-(trans-4-Butylcyclohexyl)phenylboronic acid
CasNumber: 516510-90-0
MolecularFormula: C16H25BO2
MolecularWeight: 260.1795
MdlNumber: MFCD09750934
Smiles: CCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)B(O)O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AG32974
ChemicalName:
4-(trans-4-Butylcyclohexyl)phenylboronic acid
CasNumber:
516510-90-0
MolecularFormula:
C16H25BO2
MolecularWeight:
260.1795
MdlNumber:
MFCD09750934
Smiles:
CCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)B(O)O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
__