AI61093
912846-74-3 | tert-Butyl 7-chloro-6-nitro-3,4-dihydro-1h-isoquinoline-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI61093
ChemicalName
tert-Butyl 7-chloro-6-nitro-3,4-dihydro-1h-isoquinoline-2-carboxylate
CasNumber
912846-74-3
MolecularFormula
C14H17ClN2O4
MolecularWeight
312.74877999999995
MdlNumber
MFCD18157614
Smiles
O=C(N1CCc2c(C1)cc(c(c2)[N+](=O)[O-])Cl)OC(C)(C)C
Complexity
418
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AI61093
ChemicalName: tert-Butyl 7-chloro-6-nitro-3,4-dihydro-1h-isoquinoline-2-carboxylate
CasNumber: 912846-74-3
MolecularFormula: C14H17ClN2O4
MolecularWeight: 312.74877999999995
MdlNumber: MFCD18157614
Smiles: O=C(N1CCc2c(C1)cc(c(c2)[N+](=O)[O-])Cl)OC(C)(C)C
Complexity: 418
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AI61093
ChemicalName:
tert-Butyl 7-chloro-6-nitro-3,4-dihydro-1h-isoquinoline-2-carboxylate
CasNumber:
912846-74-3
MolecularFormula:
C14H17ClN2O4
MolecularWeight:
312.74877999999995
MdlNumber:
MFCD18157614
Smiles:
O=C(N1CCc2c(C1)cc(c(c2)[N+](=O)[O-])Cl)OC(C)(C)C
Complexity:
418
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
3.1
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Smiles: O=C(N1CCc2c(C1)cc(c(c2)N)Cl)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
O=C(N1CCc2c(C1)cc(c(c2)N)Cl)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(C(F)(F)F)N1CCc2c(C1)cc(c(c2)[N+](=O)[O-])Br
Complexity: __
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HeavyAtomCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(C(F)(F)F)N1CCc2c(C1)cc(c(c2)[N+](=O)[O-])Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: C1CCC(CC1)NC1CCCCC1.CSCC[C@H](N(C(=O)OC(C)(C)C)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
C1CCC(CC1)NC1CCCCC1.CSCC[C@H](N(C(=O)OC(C)(C)C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__