AA86582
16459-34-0 | Ethyl 5-amino-1-(3-nitrophenyl)pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA86582
ChemicalName
Ethyl 5-amino-1-(3-nitrophenyl)pyrazole-4-carboxylate
CasNumber
16459-34-0
MolecularFormula
C12H12N4O4
MolecularWeight
276.2481
MdlNumber
MFCD06795954
Smiles
CCOC(=O)c1cnn(c1N)c1cccc(c1)[N+](=O)[O-]
Complexity
373
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AA86582
ChemicalName: Ethyl 5-amino-1-(3-nitrophenyl)pyrazole-4-carboxylate
CasNumber: 16459-34-0
MolecularFormula: C12H12N4O4
MolecularWeight: 276.2481
MdlNumber: MFCD06795954
Smiles: CCOC(=O)c1cnn(c1N)c1cccc(c1)[N+](=O)[O-]
Complexity: 373
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AA86582
ChemicalName:
Ethyl 5-amino-1-(3-nitrophenyl)pyrazole-4-carboxylate
CasNumber:
16459-34-0
MolecularFormula:
C12H12N4O4
MolecularWeight:
276.2481
MdlNumber:
MFCD06795954
Smiles:
CCOC(=O)c1cnn(c1N)c1cccc(c1)[N+](=O)[O-]
Complexity:
373
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnn(c1N)c1ccccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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:
CCOC(=O)c1cnn(c1N)c1ccccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA86588
ChemicalName: Methyl 4-(BOC-amino)benzoate
CasNumber: 164596-20-7
MolecularFormula: C13H17NO4
MolecularWeight: 251.2784
MdlNumber: MFCD12488174
Smiles: COC(=O)c1ccc(cc1)NC(=O)OC(C)(C)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.2
CatalogNumber:
AA86588
ChemicalName:
Methyl 4-(BOC-amino)benzoate
CasNumber:
164596-20-7
MolecularFormula:
C13H17NO4
MolecularWeight:
251.2784
MdlNumber:
MFCD12488174
Smiles:
COC(=O)c1ccc(cc1)NC(=O)OC(C)(C)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(S(=O)(=O)[O-])(F)F.C[Si](c1ccccc1[I+]c1ccccc1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(S(=O)(=O)[O-])(F)F.C[Si](c1ccccc1[I+]c1ccccc1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__