AI62764
93839-19-1 | 2-(2-Fluorophenyl)-3-oxobutanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AI62764
ChemicalName
2-(2-Fluorophenyl)-3-oxobutanenitrile
CasNumber
93839-19-1
MolecularFormula
C10H8FNO
MolecularWeight
177.175
MdlNumber
MFCD00055279
Smiles
N#CC(c1ccccc1F)C(=O)C
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AI62764
ChemicalName: 2-(2-Fluorophenyl)-3-oxobutanenitrile
CasNumber: 93839-19-1
MolecularFormula: C10H8FNO
MolecularWeight: 177.175
MdlNumber: MFCD00055279
Smiles: N#CC(c1ccccc1F)C(=O)C
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AI62764
ChemicalName:
2-(2-Fluorophenyl)-3-oxobutanenitrile
CasNumber:
93839-19-1
MolecularFormula:
C10H8FNO
MolecularWeight:
177.175
MdlNumber:
MFCD00055279
Smiles:
N#CC(c1ccccc1F)C(=O)C
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(nc1)c1ccc(cc1F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(nc1)c1ccc(cc1F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI62766
ChemicalName: Methyl 3-amino-6-methoxypicolinate
CasNumber: 938439-54-4
MolecularFormula: C8H10N2O3
MolecularWeight: 182.1766
MdlNumber: MFCD18259057
Smiles: COc1ccc(c(n1)C(=O)OC)N
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
AI62766
ChemicalName:
Methyl 3-amino-6-methoxypicolinate
CasNumber:
938439-54-4
MolecularFormula:
C8H10N2O3
MolecularWeight:
182.1766
MdlNumber:
MFCD18259057
Smiles:
COc1ccc(c(n1)C(=O)OC)N
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: AI62767
ChemicalName: (3-((Hydroxyimino)methyl)phenyl)boronic acid
CasNumber: 938443-32-4
MolecularFormula: C7H8BNO3
MolecularWeight: 164.9543
MdlNumber: MFCD11111912
Smiles: O/N=C/c1cccc(c1)B(O)O
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AI62767
ChemicalName:
(3-((Hydroxyimino)methyl)phenyl)boronic acid
CasNumber:
938443-32-4
MolecularFormula:
C7H8BNO3
MolecularWeight:
164.9543
MdlNumber:
MFCD11111912
Smiles:
O/N=C/c1cccc(c1)B(O)O
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
__