AD60785
2143-80-8 | (3E)-4-(2-Fluorophenyl)but-3-en-2-one
Manufacturer: A2B Chem
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CatalogNumber
AD60785
ChemicalName
(3E)-4-(2-Fluorophenyl)but-3-en-2-one
CasNumber
2143-80-8
MolecularFormula
C10H9FO
MolecularWeight
164.1763
MdlNumber
MFCD01221416
Smiles
CC(=O)/C=C/c1ccccc1F
Complexity
186
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AD60785
ChemicalName: (3E)-4-(2-Fluorophenyl)but-3-en-2-one
CasNumber: 2143-80-8
MolecularFormula: C10H9FO
MolecularWeight: 164.1763
MdlNumber: MFCD01221416
Smiles: CC(=O)/C=C/c1ccccc1F
Complexity: 186
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AD60785
ChemicalName:
(3E)-4-(2-Fluorophenyl)but-3-en-2-one
CasNumber:
2143-80-8
MolecularFormula:
C10H9FO
MolecularWeight:
164.1763
MdlNumber:
MFCD01221416
Smiles:
CC(=O)/C=C/c1ccccc1F
Complexity:
186
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)CCI
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)CCI
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD60787
ChemicalName: 2,4-Dimethoxyphenylboronic acid, pinacol ester
CasNumber: 214360-69-7
MolecularFormula: C14H21BO4
MolecularWeight: 264.1251
MdlNumber: MFCD06795688
Smiles: COc1cc(OC)ccc1B1OC(C(O1)(C)C)(C)C
Complexity: 303
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AD60787
ChemicalName:
2,4-Dimethoxyphenylboronic acid, pinacol ester
CasNumber:
214360-69-7
MolecularFormula:
C14H21BO4
MolecularWeight:
264.1251
MdlNumber:
MFCD06795688
Smiles:
COc1cc(OC)ccc1B1OC(C(O1)(C)C)(C)C
Complexity:
303
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)C(C)(C)C
Complexity: 306
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)C(C)(C)C
Complexity:
306
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__