AB18754
208589-95-1 | 2-Benzyl-6-nitro-1,2,3,4-tetrahydroisoquinoline
Manufacturer: A2B Chem
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CatalogNumber
AB18754
ChemicalName
2-Benzyl-6-nitro-1,2,3,4-tetrahydroisoquinoline
CasNumber
208589-95-1
MolecularFormula
C16H16N2O2
MolecularWeight
268.3104
MdlNumber
MFCD10696109
Smiles
[O-][N+](=O)c1ccc2c(c1)CCN(C2)Cc1ccccc1
Complexity
336
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AB18754
ChemicalName: 2-Benzyl-6-nitro-1,2,3,4-tetrahydroisoquinoline
CasNumber: 208589-95-1
MolecularFormula: C16H16N2O2
MolecularWeight: 268.3104
MdlNumber: MFCD10696109
Smiles: [O-][N+](=O)c1ccc2c(c1)CCN(C2)Cc1ccccc1
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB18754
ChemicalName:
2-Benzyl-6-nitro-1,2,3,4-tetrahydroisoquinoline
CasNumber:
208589-95-1
MolecularFormula:
C16H16N2O2
MolecularWeight:
268.3104
MdlNumber:
MFCD10696109
Smiles:
[O-][N+](=O)c1ccc2c(c1)CCN(C2)Cc1ccccc1
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1[C@H](OP(=O)(O)[O-])[C@@H](O)C([C@H]([C@@H]1OP(=O)(O)[O-])O)O.[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC1[C@H](OP(=O)(O)[O-])[C@@H](O)C([C@H]([C@@H]1OP(=O)(O)[O-])O)O.[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1c[nH]c2c(c1=O)ccc(c2)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)c1c[nH]c2c(c1=O)ccc(c2)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB18764
ChemicalName: (S)-(-)-2-Bromosuccinic acid
CasNumber: 20859-23-8
MolecularFormula: C4H5BrO4
MolecularWeight: 196.9841
MdlNumber: MFCD00153931
Smiles: OC(=O)C[C@@H](C(=O)O)Br
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 0.1
CatalogNumber:
AB18764
ChemicalName:
(S)-(-)-2-Bromosuccinic acid
CasNumber:
20859-23-8
MolecularFormula:
C4H5BrO4
MolecularWeight:
196.9841
MdlNumber:
MFCD00153931
Smiles:
OC(=O)C[C@@H](C(=O)O)Br
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
0.1