AE12561
103542-47-8 | Boc-val-chloromethylketone
Manufacturer: A2B Chem
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CatalogNumber
AE12561
ChemicalName
Boc-val-chloromethylketone
CasNumber
103542-47-8
MolecularFormula
C11H20ClNO3
MolecularWeight
249.7344
MdlNumber
MFCD11113165
Smiles
ClCC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
Complexity
258
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2.7
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CatalogNumber: AE12561
ChemicalName: Boc-val-chloromethylketone
CasNumber: 103542-47-8
MolecularFormula: C11H20ClNO3
MolecularWeight: 249.7344
MdlNumber: MFCD11113165
Smiles: ClCC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
Complexity: 258
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.7
CatalogNumber:
AE12561
ChemicalName:
Boc-val-chloromethylketone
CasNumber:
103542-47-8
MolecularFormula:
C11H20ClNO3
MolecularWeight:
249.7344
MdlNumber:
MFCD11113165
Smiles:
ClCC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
Complexity:
258
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC2(CC1)CCC(=O)CC2)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC2(CC1)CCC(=O)CC2)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1CC[C@H](CC1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H]1CC[C@H](CC1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE12564
ChemicalName: 3-Fluoro-5-nitrobenzaldehyde
CasNumber: 108159-96-2
MolecularFormula: C7H4FNO3
MolecularWeight: 169.11
MdlNumber: MFCD11111000
Smiles: O=Cc1cc(F)cc(c1)N(=O)=O
Complexity: 192
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AE12564
ChemicalName:
3-Fluoro-5-nitrobenzaldehyde
CasNumber:
108159-96-2
MolecularFormula:
C7H4FNO3
MolecularWeight:
169.11
MdlNumber:
MFCD11111000
Smiles:
O=Cc1cc(F)cc(c1)N(=O)=O
Complexity:
192
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.3