AG40946
52651-16-8 | 6-Bromo-2,3-dihydro-1h-indene-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG40946
ChemicalName
6-Bromo-2,3-dihydro-1h-indene-1-carboxylic acid
CasNumber
52651-16-8
MolecularFormula
C10H9BrO2
MolecularWeight
241.0813
MdlNumber
MFCD10697921
Smiles
OC(=O)C1CCc2c1cc(Br)cc2
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AG40946
ChemicalName: 6-Bromo-2,3-dihydro-1h-indene-1-carboxylic acid
CasNumber: 52651-16-8
MolecularFormula: C10H9BrO2
MolecularWeight: 241.0813
MdlNumber: MFCD10697921
Smiles: OC(=O)C1CCc2c1cc(Br)cc2
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AG40946
ChemicalName:
6-Bromo-2,3-dihydro-1h-indene-1-carboxylic acid
CasNumber:
52651-16-8
MolecularFormula:
C10H9BrO2
MolecularWeight:
241.0813
MdlNumber:
MFCD10697921
Smiles:
OC(=O)C1CCc2c1cc(Br)cc2
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5
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Smiles: C1=CC(=CC(=C1)Br)C#CC2=CC=CS2
Complexity: __
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RotatableBondCount: __
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Smiles:
C1=CC(=CC(=C1)Br)C#CC2=CC=CS2
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCOC(=O)c1noc(c1)c1cccc(c1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)c1noc(c1)c1cccc(c1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__