AB28689
260367-12-2 | 5-(9-Fluorenylmethyloxycarbonyl-amino)-3-oxapentanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB28689
ChemicalName
5-(9-Fluorenylmethyloxycarbonyl-amino)-3-oxapentanoic acid
CasNumber
260367-12-2
MolecularFormula
C19H19NO5
MolecularWeight
341.3579
MdlNumber
MFCD06796876
Smiles
OC(=O)COCCNC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity
447
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
2.5
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CatalogNumber: AB28689
ChemicalName: 5-(9-Fluorenylmethyloxycarbonyl-amino)-3-oxapentanoic acid
CasNumber: 260367-12-2
MolecularFormula: C19H19NO5
MolecularWeight: 341.3579
MdlNumber: MFCD06796876
Smiles: OC(=O)COCCNC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 447
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 2.5
CatalogNumber:
AB28689
ChemicalName:
5-(9-Fluorenylmethyloxycarbonyl-amino)-3-oxapentanoic acid
CasNumber:
260367-12-2
MolecularFormula:
C19H19NO5
MolecularWeight:
341.3579
MdlNumber:
MFCD06796876
Smiles:
OC(=O)COCCNC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
447
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
2.5
CatalogNumber: AB28693
ChemicalName: 2-Chloro-5-iodobenzotrifluoride
CasNumber: 260355-20-2
MolecularFormula: C7H3ClF3I
MolecularWeight: 306.4514
MdlNumber: MFCD09037801
Smiles: Ic1ccc(c(c1)C(F)(F)F)Cl
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
AB28693
ChemicalName:
2-Chloro-5-iodobenzotrifluoride
CasNumber:
260355-20-2
MolecularFormula:
C7H3ClF3I
MolecularWeight:
306.4514
MdlNumber:
MFCD09037801
Smiles:
Ic1ccc(c(c1)C(F)(F)F)Cl
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(c1ccc(c(c1)Cl)[N+](=O)[O-])(C(=O)OCC)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(c1ccc(c(c1)Cl)[N+](=O)[O-])(C(=O)OCC)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]P(=O)(NP(=O)([O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]P(=O)(NP(=O)([O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__