AG19749
50614-84-1 | Ethyl indole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG19749
ChemicalName
Ethyl indole-4-carboxylate
CasNumber
50614-84-1
MolecularFormula
C11H11NO2
MolecularWeight
189.2105
MdlNumber
MFCD00009738
Smiles
CCOC(=O)c1cccc2c1cc[nH]2
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AG19749
ChemicalName: Ethyl indole-4-carboxylate
CasNumber: 50614-84-1
MolecularFormula: C11H11NO2
MolecularWeight: 189.2105
MdlNumber: MFCD00009738
Smiles: CCOC(=O)c1cccc2c1cc[nH]2
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AG19749
ChemicalName:
Ethyl indole-4-carboxylate
CasNumber:
50614-84-1
MolecularFormula:
C11H11NO2
MolecularWeight:
189.2105
MdlNumber:
MFCD00009738
Smiles:
CCOC(=O)c1cccc2c1cc[nH]2
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: AG19750
ChemicalName: tert-Butyl 5-bromo-2-chlorobenzoate
CasNumber: 503555-23-5
MolecularFormula: C11H12BrClO2
MolecularWeight: 291.5688
MdlNumber: MFCD09800903
Smiles: O=C(c1cc(Br)ccc1Cl)OC(C)(C)C
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 4.2
CatalogNumber:
AG19750
ChemicalName:
tert-Butyl 5-bromo-2-chlorobenzoate
CasNumber:
503555-23-5
MolecularFormula:
C11H12BrClO2
MolecularWeight:
291.5688
MdlNumber:
MFCD09800903
Smiles:
O=C(c1cc(Br)ccc1Cl)OC(C)(C)C
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)COc1cncc(c1)Br
Complexity: 220
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)COc1cncc(c1)Br
Complexity:
220
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: AG19752
ChemicalName: 2-Chloro-5-(trifluoromethyl)pyridine-3-boronic acid
CasNumber: 536693-96-6
MolecularFormula: C6H4BClF3NO2
MolecularWeight: 225.3607
MdlNumber: MFCD10696241
Smiles: OB(c1cc(cnc1Cl)C(F)(F)F)O
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AG19752
ChemicalName:
2-Chloro-5-(trifluoromethyl)pyridine-3-boronic acid
CasNumber:
536693-96-6
MolecularFormula:
C6H4BClF3NO2
MolecularWeight:
225.3607
MdlNumber:
MFCD10696241
Smiles:
OB(c1cc(cnc1Cl)C(F)(F)F)O
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__