AA89646
16732-80-2 | ethyl 4-methyl-1H-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA89646
ChemicalName
ethyl 4-methyl-1H-indole-2-carboxylate
CasNumber
16732-80-2
MolecularFormula
C12H13NO2
MolecularWeight
203.2371
MdlNumber
MFCD00981705
Smiles
CCOC(=O)c1cc2c([nH]1)cccc2C
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AA89646
ChemicalName: ethyl 4-methyl-1H-indole-2-carboxylate
CasNumber: 16732-80-2
MolecularFormula: C12H13NO2
MolecularWeight: 203.2371
MdlNumber: MFCD00981705
Smiles: CCOC(=O)c1cc2c([nH]1)cccc2C
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AA89646
ChemicalName:
ethyl 4-methyl-1H-indole-2-carboxylate
CasNumber:
16732-80-2
MolecularFormula:
C12H13NO2
MolecularWeight:
203.2371
MdlNumber:
MFCD00981705
Smiles:
CCOC(=O)c1cc2c([nH]1)cccc2C
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: AA89647
ChemicalName: 6-Chloroindole-2-carboxylic acid
CasNumber: 16732-75-5
MolecularFormula: C9H6ClNO2
MolecularWeight: 195.6024
MdlNumber: MFCD01863157
Smiles: Clc1ccc2c(c1)[nH]c(c2)C(=O)O
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AA89647
ChemicalName:
6-Chloroindole-2-carboxylic acid
CasNumber:
16732-75-5
MolecularFormula:
C9H6ClNO2
MolecularWeight:
195.6024
MdlNumber:
MFCD01863157
Smiles:
Clc1ccc2c(c1)[nH]c(c2)C(=O)O
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnn2c1nc(CC)cc2Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnn2c1nc(CC)cc2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA89654
ChemicalName: 4-Bromo-2-formylthiazole
CasNumber: 167366-05-4
MolecularFormula: C4H2BrNOS
MolecularWeight: 192.0338
MdlNumber: MFCD06660122
Smiles: Brc1csc(n1)C=O
Complexity: 100
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AA89654
ChemicalName:
4-Bromo-2-formylthiazole
CasNumber:
167366-05-4
MolecularFormula:
C4H2BrNOS
MolecularWeight:
192.0338
MdlNumber:
MFCD06660122
Smiles:
Brc1csc(n1)C=O
Complexity:
100
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.8