AB48708
66041-31-4 | 5-Chloro-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48708
ChemicalName
5-Chloro-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
CasNumber
66041-31-4
MolecularFormula
C10H7ClO3
MolecularWeight
210.6138
MdlNumber
MFCD11219821
Smiles
OC(=O)C1CC(=O)c2c1cc(Cl)cc2
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AB48708
ChemicalName: 5-Chloro-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
CasNumber: 66041-31-4
MolecularFormula: C10H7ClO3
MolecularWeight: 210.6138
MdlNumber: MFCD11219821
Smiles: OC(=O)C1CC(=O)c2c1cc(Cl)cc2
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AB48708
ChemicalName:
5-Chloro-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
CasNumber:
66041-31-4
MolecularFormula:
C10H7ClO3
MolecularWeight:
210.6138
MdlNumber:
MFCD11219821
Smiles:
OC(=O)C1CC(=O)c2c1cc(Cl)cc2
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
CatalogNumber: AB48709
ChemicalName: Methyl 2-(1-methylpiperidin-4-yl)acetate
CasNumber: 95533-25-8
MolecularFormula: C9H17NO2
MolecularWeight: 171.2368
MdlNumber: MFCD12756507
Smiles: COC(=O)CC1CCN(CC1)C
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
AB48709
ChemicalName:
Methyl 2-(1-methylpiperidin-4-yl)acetate
CasNumber:
95533-25-8
MolecularFormula:
C9H17NO2
MolecularWeight:
171.2368
MdlNumber:
MFCD12756507
Smiles:
COC(=O)CC1CCN(CC1)C
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F
Complexity: 817
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F
Complexity:
817
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ncc(s1)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ncc(s1)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__