AF69034
400727-63-1 | tert-Butyl 5-nitroisoindoline-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF69034
ChemicalName
tert-Butyl 5-nitroisoindoline-2-carboxylate
CasNumber
400727-63-1
MolecularFormula
C13H16N2O4
MolecularWeight
264.2771
MdlNumber
MFCD08236255
Smiles
O=C(N1Cc2c(C1)ccc(c2)[N+](=O)[O-])OC(C)(C)C
Complexity
372
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AF69034
ChemicalName: tert-Butyl 5-nitroisoindoline-2-carboxylate
CasNumber: 400727-63-1
MolecularFormula: C13H16N2O4
MolecularWeight: 264.2771
MdlNumber: MFCD08236255
Smiles: O=C(N1Cc2c(C1)ccc(c2)[N+](=O)[O-])OC(C)(C)C
Complexity: 372
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AF69034
ChemicalName:
tert-Butyl 5-nitroisoindoline-2-carboxylate
CasNumber:
400727-63-1
MolecularFormula:
C13H16N2O4
MolecularWeight:
264.2771
MdlNumber:
MFCD08236255
Smiles:
O=C(N1Cc2c(C1)ccc(c2)[N+](=O)[O-])OC(C)(C)C
Complexity:
372
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2
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Smiles: O=C(N1CCC2(CC1)CCCO2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MdlNumber:
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Smiles:
O=C(N1CCC2(CC1)CCCO2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(N1CCC2(CC1)COCC2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N1CCC2(CC1)COCC2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: CCCCCCCCC/C=C/C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCC/C=C/C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__