AA91300
173089-82-2 | Methyl isoquinoline-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA91300
ChemicalName
Methyl isoquinoline-6-carboxylate
CasNumber
173089-82-2
MolecularFormula
C11H9NO2
MolecularWeight
187.1947
MdlNumber
MFCD11226961
Smiles
COC(=O)c1ccc2c(c1)ccnc2
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AA91300
ChemicalName: Methyl isoquinoline-6-carboxylate
CasNumber: 173089-82-2
MolecularFormula: C11H9NO2
MolecularWeight: 187.1947
MdlNumber: MFCD11226961
Smiles: COC(=O)c1ccc2c(c1)ccnc2
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AA91300
ChemicalName:
Methyl isoquinoline-6-carboxylate
CasNumber:
173089-82-2
MolecularFormula:
C11H9NO2
MolecularWeight:
187.1947
MdlNumber:
MFCD11226961
Smiles:
COC(=O)c1ccc2c(c1)ccnc2
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AA91301
ChemicalName: Isoquinoline-6-carbaldehyde
CasNumber: 173089-81-1
MolecularFormula: C10H7NO
MolecularWeight: 157.1687
MdlNumber: MFCD06227438
Smiles: O=Cc1ccc2c(c1)ccnc2
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AA91301
ChemicalName:
Isoquinoline-6-carbaldehyde
CasNumber:
173089-81-1
MolecularFormula:
C10H7NO
MolecularWeight:
157.1687
MdlNumber:
MFCD06227438
Smiles:
O=Cc1ccc2c(c1)ccnc2
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=S(=O)(C(F)(F)F)Oc1ccc2c(c1)cccn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=S(=O)(C(F)(F)F)Oc1ccc2c(c1)cccn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA91303
ChemicalName: Ethyl 2-(bromomethyl)thiazole-5-carboxylate
CasNumber: 173089-24-2
MolecularFormula: C7H8BrNO2S
MolecularWeight: 250.1129
MdlNumber: MFCD12913872
Smiles: CCOC(=O)c1cnc(s1)CBr
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AA91303
ChemicalName:
Ethyl 2-(bromomethyl)thiazole-5-carboxylate
CasNumber:
173089-24-2
MolecularFormula:
C7H8BrNO2S
MolecularWeight:
250.1129
MdlNumber:
MFCD12913872
Smiles:
CCOC(=O)c1cnc(s1)CBr
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.1