AB48001
87223-77-6 | Ethyl 3-amino-1h-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB48001
ChemicalName
Ethyl 3-amino-1h-indole-2-carboxylate
CasNumber
87223-77-6
MolecularFormula
C11H12N2O2
MolecularWeight
204.2252
MdlNumber
MFCD00141060
Smiles
CCOC(=O)c1[nH]c2c(c1N)cccc2
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AB48001
ChemicalName: Ethyl 3-amino-1h-indole-2-carboxylate
CasNumber: 87223-77-6
MolecularFormula: C11H12N2O2
MolecularWeight: 204.2252
MdlNumber: MFCD00141060
Smiles: CCOC(=O)c1[nH]c2c(c1N)cccc2
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AB48001
ChemicalName:
Ethyl 3-amino-1h-indole-2-carboxylate
CasNumber:
87223-77-6
MolecularFormula:
C11H12N2O2
MolecularWeight:
204.2252
MdlNumber:
MFCD00141060
Smiles:
CCOC(=O)c1[nH]c2c(c1N)cccc2
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AB48002
ChemicalName: 4-Fluoro-3-(methylcarbamoyl)phenylboronic acid
CasNumber: 874219-19-9
MolecularFormula: C8H9BFNO3
MolecularWeight: 196.9714
MdlNumber: MFCD08235038
Smiles: CNC(=O)c1cc(ccc1F)B(O)O
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB48002
ChemicalName:
4-Fluoro-3-(methylcarbamoyl)phenylboronic acid
CasNumber:
874219-19-9
MolecularFormula:
C8H9BFNO3
MolecularWeight:
196.9714
MdlNumber:
MFCD08235038
Smiles:
CNC(=O)c1cc(ccc1F)B(O)O
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB48003
ChemicalName: 5-Chloropyridine-3-boronic acid
CasNumber: 872041-85-5
MolecularFormula: C5H5BClNO2
MolecularWeight: 157.3627
MdlNumber: MFCD06798243
Smiles: OB(c1cncc(c1)Cl)O
Complexity: 114
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB48003
ChemicalName:
5-Chloropyridine-3-boronic acid
CasNumber:
872041-85-5
MolecularFormula:
C5H5BClNO2
MolecularWeight:
157.3627
MdlNumber:
MFCD06798243
Smiles:
OB(c1cncc(c1)Cl)O
Complexity:
114
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc2[nH]ccc2cc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc2[nH]ccc2cc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__