AC82638
6866-57-5 | 2-(Trifluoromethyl)-1h-1,3-benzodiazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC82638
ChemicalName
2-(Trifluoromethyl)-1h-1,3-benzodiazole-4-carboxylic acid
CasNumber
6866-57-5
MolecularFormula
C9H5F3N2O2
MolecularWeight
230.1434
MdlNumber
MFCD06010066
Smiles
OC(=O)c1cccc2c1[nH]c(n2)C(F)(F)F
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AC82638
ChemicalName: 2-(Trifluoromethyl)-1h-1,3-benzodiazole-4-carboxylic acid
CasNumber: 6866-57-5
MolecularFormula: C9H5F3N2O2
MolecularWeight: 230.1434
MdlNumber: MFCD06010066
Smiles: OC(=O)c1cccc2c1[nH]c(n2)C(F)(F)F
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AC82638
ChemicalName:
2-(Trifluoromethyl)-1h-1,3-benzodiazole-4-carboxylic acid
CasNumber:
6866-57-5
MolecularFormula:
C9H5F3N2O2
MolecularWeight:
230.1434
MdlNumber:
MFCD06010066
Smiles:
OC(=O)c1cccc2c1[nH]c(n2)C(F)(F)F
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.8
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Smiles: BrCCCC1CCCCO1
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Smiles:
BrCCCC1CCCCO1
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Smiles: CCCCCC[C@H](CC=CCCCCCCCC(=O)[O-])O.CCCCCC[C@H](CC=CCCCCCCCC(=O)[O-])O.[Ca+2]
Complexity: __
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Smiles:
CCCCCC[C@H](CC=CCCCCCCCC(=O)[O-])O.CCCCCC[C@H](CC=CCCCCCCCC(=O)[O-])O.[Ca+2]
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Smiles: O=C(Oc1ccccc1)CC(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(Oc1ccccc1)CC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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