AB52697
462100-06-7 | 2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-oic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52697
ChemicalName
2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-oic acid
CasNumber
462100-06-7
MolecularFormula
C13H25NO7
MolecularWeight
307.3401
MdlNumber
MFCD22376773
Smiles
OC(=O)COCCOCCOCCNC(=O)OC(C)(C)C
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
13
Xlogp3
0.1
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CatalogNumber: AB52697
ChemicalName: 2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-oic acid
CasNumber: 462100-06-7
MolecularFormula: C13H25NO7
MolecularWeight: 307.3401
MdlNumber: MFCD22376773
Smiles: OC(=O)COCCOCCOCCNC(=O)OC(C)(C)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 13
Xlogp3: 0.1
CatalogNumber:
AB52697
ChemicalName:
2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-oic acid
CasNumber:
462100-06-7
MolecularFormula:
C13H25NO7
MolecularWeight:
307.3401
MdlNumber:
MFCD22376773
Smiles:
OC(=O)COCCOCCOCCNC(=O)OC(C)(C)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
13
Xlogp3:
0.1
CatalogNumber: AB52698
ChemicalName: 3-Fluoro-2-iodobenzonitrile
CasNumber: 916792-62-6
MolecularFormula: C7H3FIN
MolecularWeight: 247.0083
MdlNumber: MFCD07782075
Smiles: N#Cc1cccc(c1I)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB52698
ChemicalName:
3-Fluoro-2-iodobenzonitrile
CasNumber:
916792-62-6
MolecularFormula:
C7H3FIN
MolecularWeight:
247.0083
MdlNumber:
MFCD07782075
Smiles:
N#Cc1cccc(c1I)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1C(F)(F)F)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1C(F)(F)F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(c(c1)C#N)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(c(c1)C#N)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__