AI62595
93679-99-3 | 3-Aminoisoindolin-1-one
Manufacturer: A2B Chem
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CatalogNumber
AI62595
ChemicalName
3-Aminoisoindolin-1-one
CasNumber
93679-99-3
MolecularFormula
C8H8N2O
MolecularWeight
148.1619
MdlNumber
MFCD12924137
Smiles
O=C1NC(c2c1cccc2)N
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI62595
ChemicalName: 3-Aminoisoindolin-1-one
CasNumber: 93679-99-3
MolecularFormula: C8H8N2O
MolecularWeight: 148.1619
MdlNumber: MFCD12924137
Smiles: O=C1NC(c2c1cccc2)N
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI62595
ChemicalName:
3-Aminoisoindolin-1-one
CasNumber:
93679-99-3
MolecularFormula:
C8H8N2O
MolecularWeight:
148.1619
MdlNumber:
MFCD12924137
Smiles:
O=C1NC(c2c1cccc2)N
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
UndefinedAtomStereocenterCount:
1
CatalogNumber: AI62596
ChemicalName: 5-(Ethoxycarbonyl)-2-methylnicotinic acid
CasNumber: 936801-41-1
MolecularFormula: C10H11NO4
MolecularWeight: 209.19864000000004
MdlNumber: MFCD18256583
Smiles: CCOC(=O)c1cnc(c(c1)C(=O)O)C
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: __
CatalogNumber:
AI62596
ChemicalName:
5-(Ethoxycarbonyl)-2-methylnicotinic acid
CasNumber:
936801-41-1
MolecularFormula:
C10H11NO4
MolecularWeight:
209.19864000000004
MdlNumber:
MFCD18256583
Smiles:
CCOC(=O)c1cnc(c(c1)C(=O)O)C
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1onc(c1COc1ccc(cc1)S(=O)(=O)Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1onc(c1COc1ccc(cc1)S(=O)(=O)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)Nc1cccc(c1Br)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)Nc1cccc(c1Br)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__