AB52049
468718-16-3 | 5-(Trifluoromethyl)-1h-indole-3-carboxaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB52049
ChemicalName
5-(Trifluoromethyl)-1h-indole-3-carboxaldehyde
CasNumber
468718-16-3
MolecularFormula
C10H6F3NO
MolecularWeight
213.1559
MdlNumber
MFCD09954785
Smiles
O=Cc1c[nH]c2c1cc(cc2)C(F)(F)F
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AB52049
ChemicalName: 5-(Trifluoromethyl)-1h-indole-3-carboxaldehyde
CasNumber: 468718-16-3
MolecularFormula: C10H6F3NO
MolecularWeight: 213.1559
MdlNumber: MFCD09954785
Smiles: O=Cc1c[nH]c2c1cc(cc2)C(F)(F)F
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB52049
ChemicalName:
5-(Trifluoromethyl)-1h-indole-3-carboxaldehyde
CasNumber:
468718-16-3
MolecularFormula:
C10H6F3NO
MolecularWeight:
213.1559
MdlNumber:
MFCD09954785
Smiles:
O=Cc1c[nH]c2c1cc(cc2)C(F)(F)F
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AB52050
ChemicalName: (5-Bromo-2-methylphenyl)acetic acid
CasNumber: 854646-94-9
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD11840270
Smiles: Cc1ccc(cc1CC(=O)O)Br
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB52050
ChemicalName:
(5-Bromo-2-methylphenyl)acetic acid
CasNumber:
854646-94-9
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD11840270
Smiles:
Cc1ccc(cc1CC(=O)O)Br
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc2c(c1)NCCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc2c(c1)NCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__