AB13018
191605-10-4 | Di-p-anisoyl-D-tartaric acid
Manufacturer: A2B Chem
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CatalogNumber
AB13018
ChemicalName
Di-p-anisoyl-D-tartaric acid
CasNumber
191605-10-4
MolecularFormula
C20H18O10
MolecularWeight
418.3509
MdlNumber
MFCD07368366
Smiles
COc1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c1ccc(cc1)OC)C(=O)O
Complexity
563
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
30
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
2
RotatableBondCount
11
Xlogp3
2.5
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CatalogNumber: AB13018
ChemicalName: Di-p-anisoyl-D-tartaric acid
CasNumber: 191605-10-4
MolecularFormula: C20H18O10
MolecularWeight: 418.3509
MdlNumber: MFCD07368366
Smiles: COc1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c1ccc(cc1)OC)C(=O)O
Complexity: 563
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 2
RotatableBondCount: 11
Xlogp3: 2.5
CatalogNumber:
AB13018
ChemicalName:
Di-p-anisoyl-D-tartaric acid
CasNumber:
191605-10-4
MolecularFormula:
C20H18O10
MolecularWeight:
418.3509
MdlNumber:
MFCD07368366
Smiles:
COc1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c1ccc(cc1)OC)C(=O)O
Complexity:
563
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
2
RotatableBondCount:
11
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1C(=O)O)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1C(=O)O)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(ccc1SC)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(ccc1SC)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB13021
ChemicalName: 3-Bromo-4-(trifluoromethoxy)benzonitrile
CasNumber: 191602-89-8
MolecularFormula: C8H3BrF3NO
MolecularWeight: 266.0147
MdlNumber: MFCD13195683
Smiles: N#Cc1ccc(c(c1)Br)OC(F)(F)F
Complexity: 247
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AB13021
ChemicalName:
3-Bromo-4-(trifluoromethoxy)benzonitrile
CasNumber:
191602-89-8
MolecularFormula:
C8H3BrF3NO
MolecularWeight:
266.0147
MdlNumber:
MFCD13195683
Smiles:
N#Cc1ccc(c(c1)Br)OC(F)(F)F
Complexity:
247
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.5