AA71155
144172-24-7 | 5-Chloro-2-hydroxy-2-methoxycarbonyl-1-indanone
Manufacturer: A2B Chem
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CatalogNumber
AA71155
ChemicalName
5-Chloro-2-hydroxy-2-methoxycarbonyl-1-indanone
CasNumber
144172-24-7
MolecularFormula
C11H9ClO4
MolecularWeight
240.6398
MdlNumber
MFCD09033003
Smiles
COC(=O)C1(O)Cc2c(C1=O)ccc(c2)Cl
Complexity
330
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AA71155
ChemicalName: 5-Chloro-2-hydroxy-2-methoxycarbonyl-1-indanone
CasNumber: 144172-24-7
MolecularFormula: C11H9ClO4
MolecularWeight: 240.6398
MdlNumber: MFCD09033003
Smiles: COC(=O)C1(O)Cc2c(C1=O)ccc(c2)Cl
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AA71155
ChemicalName:
5-Chloro-2-hydroxy-2-methoxycarbonyl-1-indanone
CasNumber:
144172-24-7
MolecularFormula:
C11H9ClO4
MolecularWeight:
240.6398
MdlNumber:
MFCD09033003
Smiles:
COC(=O)C1(O)Cc2c(C1=O)ccc(c2)Cl
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA71163
ChemicalName: N,N-Dimethylbenzenesulfonamide
CasNumber: 14417-01-7
MolecularFormula: C8H11NO2S
MolecularWeight: 185.2434
MdlNumber: MFCD00514037
Smiles: CN(S(=O)(=O)c1ccccc1)C
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
CatalogNumber:
AA71163
ChemicalName:
N,N-Dimethylbenzenesulfonamide
CasNumber:
14417-01-7
MolecularFormula:
C8H11NO2S
MolecularWeight:
185.2434
MdlNumber:
MFCD00514037
Smiles:
CN(S(=O)(=O)c1ccccc1)C
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cn(C)c(=O)c(c1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cn(C)c(=O)c(c1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__