AB48348
71086-99-2 | Ethyl 5-amino-1H-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB48348
ChemicalName
Ethyl 5-amino-1H-indole-2-carboxylate
CasNumber
71086-99-2
MolecularFormula
C11H12N2O2
MolecularWeight
204.2252
MdlNumber
MFCD08689973
Smiles
CCOC(=O)c1cc2c([nH]1)ccc(c2)N
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AB48348
ChemicalName: Ethyl 5-amino-1H-indole-2-carboxylate
CasNumber: 71086-99-2
MolecularFormula: C11H12N2O2
MolecularWeight: 204.2252
MdlNumber: MFCD08689973
Smiles: CCOC(=O)c1cc2c([nH]1)ccc(c2)N
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AB48348
ChemicalName:
Ethyl 5-amino-1H-indole-2-carboxylate
CasNumber:
71086-99-2
MolecularFormula:
C11H12N2O2
MolecularWeight:
204.2252
MdlNumber:
MFCD08689973
Smiles:
CCOC(=O)c1cc2c([nH]1)ccc(c2)N
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)N1C=CCC=C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)N1C=CCC=C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCCn1c(C)[n+](c2c1C(=O)c1ccccc1C2=O)Cc1cnccn1.[Br-]
Complexity: 571
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCn1c(C)[n+](c2c1C(=O)c1ccccc1C2=O)Cc1cnccn1.[Br-]
Complexity:
571
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48351
ChemicalName: 4-[4-(Trifluoromethyl)phenoxy]benzoic acid
CasNumber: 78161-82-7
MolecularFormula: C14H9F3O3
MolecularWeight: 282.2147
MdlNumber: MFCD03840158
Smiles: OC(=O)c1ccc(cc1)Oc1ccc(cc1)C(F)(F)F
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.6
CatalogNumber:
AB48351
ChemicalName:
4-[4-(Trifluoromethyl)phenoxy]benzoic acid
CasNumber:
78161-82-7
MolecularFormula:
C14H9F3O3
MolecularWeight:
282.2147
MdlNumber:
MFCD03840158
Smiles:
OC(=O)c1ccc(cc1)Oc1ccc(cc1)C(F)(F)F
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.6