AC92595
98081-84-6 | 6-Chloro-1h-indole-2-carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AC92595
ChemicalName
6-Chloro-1h-indole-2-carboxylic acid methyl ester
CasNumber
98081-84-6
MolecularFormula
C10H8ClNO2
MolecularWeight
209.629
MdlNumber
MFCD04966992
Smiles
COC(=O)c1cc2c([nH]1)cc(cc2)Cl
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AC92595
ChemicalName: 6-Chloro-1h-indole-2-carboxylic acid methyl ester
CasNumber: 98081-84-6
MolecularFormula: C10H8ClNO2
MolecularWeight: 209.629
MdlNumber: MFCD04966992
Smiles: COC(=O)c1cc2c([nH]1)cc(cc2)Cl
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AC92595
ChemicalName:
6-Chloro-1h-indole-2-carboxylic acid methyl ester
CasNumber:
98081-84-6
MolecularFormula:
C10H8ClNO2
MolecularWeight:
209.629
MdlNumber:
MFCD04966992
Smiles:
COC(=O)c1cc2c([nH]1)cc(cc2)Cl
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Cc1c(C)c(C)c(c(c1C)C)C.[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
Cc1c(C)c(C)c(c(c1C)C)C.[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: CCOS(=O)(=O)[O-].CCCCCCCCCC(=O)OCC[N+](CC)(CC)CC
Complexity: __
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Smiles:
CCOS(=O)(=O)[O-].CCCCCCCCCC(=O)OCC[N+](CC)(CC)CC
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OCCNCCOB(OCCNCCO)O
Complexity: __
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Smiles:
OCCNCCOB(OCCNCCO)O
Complexity:
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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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