AE98965
18450-27-6 | Ethyl 3-formyl-1H-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE98965
ChemicalName
Ethyl 3-formyl-1H-indole-2-carboxylate
CasNumber
18450-27-6
MolecularFormula
C12H11NO3
MolecularWeight
217.2206
MdlNumber
MFCD01463252
Smiles
CCOC(=O)c1[nH]c2c(c1C=O)cccc2
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AE98965
ChemicalName: Ethyl 3-formyl-1H-indole-2-carboxylate
CasNumber: 18450-27-6
MolecularFormula: C12H11NO3
MolecularWeight: 217.2206
MdlNumber: MFCD01463252
Smiles: CCOC(=O)c1[nH]c2c(c1C=O)cccc2
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AE98965
ChemicalName:
Ethyl 3-formyl-1H-indole-2-carboxylate
CasNumber:
18450-27-6
MolecularFormula:
C12H11NO3
MolecularWeight:
217.2206
MdlNumber:
MFCD01463252
Smiles:
CCOC(=O)c1[nH]c2c(c1C=O)cccc2
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: AE98966
ChemicalName: 4-(4-Chlorophenyl)-1,3-thiazole
CasNumber: 1826-22-8
MolecularFormula: C9H6ClNS
MolecularWeight: 195.6686
MdlNumber: MFCD02665933
Smiles: Clc1ccc(cc1)c1ncsc1
Complexity: 146
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AE98966
ChemicalName:
4-(4-Chlorophenyl)-1,3-thiazole
CasNumber:
1826-22-8
MolecularFormula:
C9H6ClNS
MolecularWeight:
195.6686
MdlNumber:
MFCD02665933
Smiles:
Clc1ccc(cc1)c1ncsc1
Complexity:
146
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1n1c(N)cc(=O)[nH]c1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1n1c(N)cc(=O)[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc2c([nH]1)ccc(c2)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc2c([nH]1)ccc(c2)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__