AH93760
870997-82-3 | 3-(tert-Butoxycarbonylamino)-2-methoxyisonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AH93760
ChemicalName
3-(tert-Butoxycarbonylamino)-2-methoxyisonicotinic acid
CasNumber
870997-82-3
MolecularFormula
C12H16N2O5
MolecularWeight
268.2658
MdlNumber
MFCD22199249
Smiles
COc1nccc(c1NC(=O)OC(C)(C)C)C(=O)O
Complexity
340
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
1.8
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CatalogNumber: AH93760
ChemicalName: 3-(tert-Butoxycarbonylamino)-2-methoxyisonicotinic acid
CasNumber: 870997-82-3
MolecularFormula: C12H16N2O5
MolecularWeight: 268.2658
MdlNumber: MFCD22199249
Smiles: COc1nccc(c1NC(=O)OC(C)(C)C)C(=O)O
Complexity: 340
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 1.8
CatalogNumber:
AH93760
ChemicalName:
3-(tert-Butoxycarbonylamino)-2-methoxyisonicotinic acid
CasNumber:
870997-82-3
MolecularFormula:
C12H16N2O5
MolecularWeight:
268.2658
MdlNumber:
MFCD22199249
Smiles:
COc1nccc(c1NC(=O)OC(C)(C)C)C(=O)O
Complexity:
340
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
1.8
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Smiles: c1ccc(cc1)C=Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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Smiles:
c1ccc(cc1)C=Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
Complexity:
__
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__
HeavyAtomCount:
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__
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Smiles: [B-](F)(F)(F)F.CCCCN1C2=CC=CC3=C2C(=CC=C3)C1=CC=C4CCC(=C4C5=CC=CC=C5)C=CC6=[N+](C7=CC=CC8=C7C6=CC=C8)CCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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Smiles:
[B-](F)(F)(F)F.CCCCN1C2=CC=CC3=C2C(=CC=C3)C1=CC=C4CCC(=C4C5=CC=CC=C5)C=CC6=[N+](C7=CC=CC8=C7C6=CC=C8)CCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__