AI43481
1935952-84-3 | Ethyl 4-amino-6-chloro-5-iodonicotinate
Manufacturer: A2B Chem
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CatalogNumber
AI43481
ChemicalName
Ethyl 4-amino-6-chloro-5-iodonicotinate
CasNumber
1935952-84-3
MolecularFormula
C8H8ClIN2O2
MolecularWeight
326.51878999999997
MdlNumber
MFCD28559209
Smiles
CCOC(=O)c1cnc(c(c1N)I)Cl
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AI43481
ChemicalName: Ethyl 4-amino-6-chloro-5-iodonicotinate
CasNumber: 1935952-84-3
MolecularFormula: C8H8ClIN2O2
MolecularWeight: 326.51878999999997
MdlNumber: MFCD28559209
Smiles: CCOC(=O)c1cnc(c(c1N)I)Cl
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AI43481
ChemicalName:
Ethyl 4-amino-6-chloro-5-iodonicotinate
CasNumber:
1935952-84-3
MolecularFormula:
C8H8ClIN2O2
MolecularWeight:
326.51878999999997
MdlNumber:
MFCD28559209
Smiles:
CCOC(=O)c1cnc(c(c1N)I)Cl
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C=C1CN(C1)C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C=C1CN(C1)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1Br)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1Br)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI43484
ChemicalName: Orange G
CasNumber: 1936-15-8
MolecularFormula: C16H10N2Na2O7S2
MolecularWeight: 452.3693
MdlNumber: MFCD00012457
Smiles: Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Complexity: 724
Covalently-bondedUnitCount: 3
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AI43484
ChemicalName:
Orange G
CasNumber:
1936-15-8
MolecularFormula:
C16H10N2Na2O7S2
MolecularWeight:
452.3693
MdlNumber:
MFCD00012457
Smiles:
Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Complexity:
724
Covalently-bondedUnitCount:
3
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
__