AE05913
7399-69-1 | N-(2-Hydroxyethyl)-3-nitrobenzamide
Manufacturer: A2B Chem
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CatalogNumber
AE05913
ChemicalName
N-(2-Hydroxyethyl)-3-nitrobenzamide
CasNumber
7399-69-1
MolecularFormula
C9H10N2O4
MolecularWeight
210.1867
MdlNumber
MFCD00458986
Smiles
OCCNC(=O)c1cccc(c1)[N+](=O)[O-]
NscNumber
54395
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.3
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CatalogNumber: AE05913
ChemicalName: N-(2-Hydroxyethyl)-3-nitrobenzamide
CasNumber: 7399-69-1
MolecularFormula: C9H10N2O4
MolecularWeight: 210.1867
MdlNumber: MFCD00458986
Smiles: OCCNC(=O)c1cccc(c1)[N+](=O)[O-]
NscNumber: 54395
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.3
CatalogNumber:
AE05913
ChemicalName:
N-(2-Hydroxyethyl)-3-nitrobenzamide
CasNumber:
7399-69-1
MolecularFormula:
C9H10N2O4
MolecularWeight:
210.1867
MdlNumber:
MFCD00458986
Smiles:
OCCNC(=O)c1cccc(c1)[N+](=O)[O-]
NscNumber:
54395
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.3
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Smiles: C#Cc1cccc(c1C)C
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HydrogenBondAcceptorCount: __
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Smiles:
C#Cc1cccc(c1C)C
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Smiles: Cc1cc(=O)cc(n1C)C
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Smiles:
Cc1cc(=O)cc(n1C)C
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1ccc(cc1)c1cc(=O)cc(o1)C(=O)N
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1cc(=O)cc(o1)C(=O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__