AI37701
15936-71-7 | Ethyl 5-chloro-7-methyl-1h-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI37701
ChemicalName
Ethyl 5-chloro-7-methyl-1h-indole-2-carboxylate
CasNumber
15936-71-7
MolecularFormula
C12H12ClNO2
MolecularWeight
237.6822
MdlNumber
MFCD09832454
Smiles
CCOC(=O)c1cc2c([nH]1)c(C)cc(c2)Cl
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AI37701
ChemicalName: Ethyl 5-chloro-7-methyl-1h-indole-2-carboxylate
CasNumber: 15936-71-7
MolecularFormula: C12H12ClNO2
MolecularWeight: 237.6822
MdlNumber: MFCD09832454
Smiles: CCOC(=O)c1cc2c([nH]1)c(C)cc(c2)Cl
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AI37701
ChemicalName:
Ethyl 5-chloro-7-methyl-1h-indole-2-carboxylate
CasNumber:
15936-71-7
MolecularFormula:
C12H12ClNO2
MolecularWeight:
237.6822
MdlNumber:
MFCD09832454
Smiles:
CCOC(=O)c1cc2c([nH]1)c(C)cc(c2)Cl
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: AI37702
ChemicalName: Ethyl 7-bromo-5-methyl-1h-indole-2-carboxylate
CasNumber: 15936-72-8
MolecularFormula: C12H12BrNO2
MolecularWeight: 282.1332
MdlNumber: MFCD08752924
Smiles: CCOC(=O)c1cc2c([nH]1)c(Br)cc(c2)C
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AI37702
ChemicalName:
Ethyl 7-bromo-5-methyl-1h-indole-2-carboxylate
CasNumber:
15936-72-8
MolecularFormula:
C12H12BrNO2
MolecularWeight:
282.1332
MdlNumber:
MFCD08752924
Smiles:
CCOC(=O)c1cc2c([nH]1)c(Br)cc(c2)C
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
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Smiles: COC(=O)c1cnc2c(c1O)cc(cc2)Br
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COC(=O)c1cnc2c(c1O)cc(cc2)Br
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Smiles: [N-]=[N+]=N[C@H](C(=O)O)[C@H](CC)C
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Smiles:
[N-]=[N+]=N[C@H](C(=O)O)[C@H](CC)C
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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