AI65243
96129-74-7 | 4,7-Dichloro-1h-indole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI65243
ChemicalName
4,7-Dichloro-1h-indole-2-carboxylic acid
CasNumber
96129-74-7
MolecularFormula
C9H5Cl2NO2
MolecularWeight
230.0475
MdlNumber
MFCD02664446
Smiles
OC(=O)c1cc2c([nH]1)c(Cl)ccc2Cl
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AI65243
ChemicalName: 4,7-Dichloro-1h-indole-2-carboxylic acid
CasNumber: 96129-74-7
MolecularFormula: C9H5Cl2NO2
MolecularWeight: 230.0475
MdlNumber: MFCD02664446
Smiles: OC(=O)c1cc2c([nH]1)c(Cl)ccc2Cl
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AI65243
ChemicalName:
4,7-Dichloro-1h-indole-2-carboxylic acid
CasNumber:
96129-74-7
MolecularFormula:
C9H5Cl2NO2
MolecularWeight:
230.0475
MdlNumber:
MFCD02664446
Smiles:
OC(=O)c1cc2c([nH]1)c(Cl)ccc2Cl
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNC(=O)c1cccc(c1)S(=O)(=O)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NNC(=O)c1cccc(c1)S(=O)(=O)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H](NC(=O)OCc1ccccc1)CNC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H](NC(=O)OCc1ccccc1)CNC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI65246
ChemicalName: 2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol
CasNumber: 96145-98-1
MolecularFormula: C10H7F3N2O
MolecularWeight: 228.1706
MdlNumber: MFCD03714773
Smiles: Oc1cc(nn1c1ccccc1)C(F)(F)F
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AI65246
ChemicalName:
2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol
CasNumber:
96145-98-1
MolecularFormula:
C10H7F3N2O
MolecularWeight:
228.1706
MdlNumber:
MFCD03714773
Smiles:
Oc1cc(nn1c1ccccc1)C(F)(F)F
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4