AF03839
1894988-20-5 | Ethyl 5-nitropyrimidine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF03839
ChemicalName
Ethyl 5-nitropyrimidine-2-carboxylate
CasNumber
1894988-20-5
MolecularFormula
C7H7N3O4
MolecularWeight
197.1482
MdlNumber
MFCD30475679
Smiles
CCOC(=O)c1ncc(cn1)[N+](=O)[O-]
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
-0.5
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CatalogNumber: AF03839
ChemicalName: Ethyl 5-nitropyrimidine-2-carboxylate
CasNumber: 1894988-20-5
MolecularFormula: C7H7N3O4
MolecularWeight: 197.1482
MdlNumber: MFCD30475679
Smiles: CCOC(=O)c1ncc(cn1)[N+](=O)[O-]
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: -0.5
CatalogNumber:
AF03839
ChemicalName:
Ethyl 5-nitropyrimidine-2-carboxylate
CasNumber:
1894988-20-5
MolecularFormula:
C7H7N3O4
MolecularWeight:
197.1482
MdlNumber:
MFCD30475679
Smiles:
CCOC(=O)c1ncc(cn1)[N+](=O)[O-]
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
-0.5
CatalogNumber: __
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Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C6=C4C=C(C=C6)Br)N=CC=C5
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C6=C4C=C(C=C6)Br)N=CC=C5
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
__
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HydrogenBondAcceptorCount: __
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MdlNumber:
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Smiles:
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__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: COc1ccccc1N1CCN(CC1)C[C@@H](C(=O)NC(C)(C)C)c1ccccc1.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1N1CCN(CC1)C[C@@H](C(=O)NC(C)(C)C)c1ccccc1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__