AB70982
17966-67-5 | Benzoyl-DL-leucine
Manufacturer: A2B Chem
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CatalogNumber
AB70982
ChemicalName
Benzoyl-DL-leucine
CasNumber
17966-67-5
MolecularFormula
C13H17NO3
MolecularWeight
235.279
MdlNumber
MFCD00038295
Smiles
CC(CC(C(=O)O)NC(=O)c1ccccc1)C
Complexity
270
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AB70982
ChemicalName: Benzoyl-DL-leucine
CasNumber: 17966-67-5
MolecularFormula: C13H17NO3
MolecularWeight: 235.279
MdlNumber: MFCD00038295
Smiles: CC(CC(C(=O)O)NC(=O)c1ccccc1)C
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AB70982
ChemicalName:
Benzoyl-DL-leucine
CasNumber:
17966-67-5
MolecularFormula:
C13H17NO3
MolecularWeight:
235.279
MdlNumber:
MFCD00038295
Smiles:
CC(CC(C(=O)O)NC(=O)c1ccccc1)C
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNC(=O)c1ccccc1
Complexity: 119
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNC(=O)c1ccccc1
Complexity:
119
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.2
CatalogNumber: AB70984
ChemicalName: Diethyl 2-benzoylmalonate
CasNumber: 1087-97-4
MolecularFormula: C14H16O5
MolecularWeight: 264.2738
MdlNumber: MFCD00059381
Smiles: CCOC(=O)C(C(=O)c1ccccc1)C(=O)OCC
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 8
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
AB70984
ChemicalName:
Diethyl 2-benzoylmalonate
CasNumber:
1087-97-4
MolecularFormula:
C14H16O5
MolecularWeight:
264.2738
MdlNumber:
MFCD00059381
Smiles:
CCOC(=O)C(C(=O)c1ccccc1)C(=O)OCC
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)C[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)C[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__