AB75462
57060-88-5 | Methyl 1,2,3,4-tetrahydro-isoquinoline-3-carboxylate, HCl
Manufacturer: A2B Chem
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CatalogNumber
AB75462
ChemicalName
Methyl 1,2,3,4-tetrahydro-isoquinoline-3-carboxylate, HCl
CasNumber
57060-88-5
MolecularFormula
C11H14ClNO2
MolecularWeight
227.6874
MdlNumber
MFCD00157120
Smiles
COC(=O)C1NCc2c(C1)cccc2.Cl
Complexity
217
Covalently-bondedUnitCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB75462
ChemicalName: Methyl 1,2,3,4-tetrahydro-isoquinoline-3-carboxylate, HCl
CasNumber: 57060-88-5
MolecularFormula: C11H14ClNO2
MolecularWeight: 227.6874
MdlNumber: MFCD00157120
Smiles: COC(=O)C1NCc2c(C1)cccc2.Cl
Complexity: 217
Covalently-bondedUnitCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB75462
ChemicalName:
Methyl 1,2,3,4-tetrahydro-isoquinoline-3-carboxylate, HCl
CasNumber:
57060-88-5
MolecularFormula:
C11H14ClNO2
MolecularWeight:
227.6874
MdlNumber:
MFCD00157120
Smiles:
COC(=O)C1NCc2c(C1)cccc2.Cl
Complexity:
217
Covalently-bondedUnitCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1=CCNCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1=CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: AB75464
ChemicalName: Methyl 1,2,4-triazole-3-carboxylate
CasNumber: 4928-88-5
MolecularFormula: C4H5N3O2
MolecularWeight: 127.1014
MdlNumber: MFCD00135989
Smiles: COC(=O)c1n[nH]cn1
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AB75464
ChemicalName:
Methyl 1,2,4-triazole-3-carboxylate
CasNumber:
4928-88-5
MolecularFormula:
C4H5N3O2
MolecularWeight:
127.1014
MdlNumber:
MFCD00135989
Smiles:
COC(=O)c1n[nH]cn1
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
CatalogNumber: AB75465
ChemicalName: Methyl 1,3-benzodioxole-4-carboxylate
CasNumber: 33842-16-9
MolecularFormula: C9H8O4
MolecularWeight: 180.1574
MdlNumber: MFCD01546796
Smiles: COC(=O)c1cccc2c1OCO2
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AB75465
ChemicalName:
Methyl 1,3-benzodioxole-4-carboxylate
CasNumber:
33842-16-9
MolecularFormula:
C9H8O4
MolecularWeight:
180.1574
MdlNumber:
MFCD01546796
Smiles:
COC(=O)c1cccc2c1OCO2
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__