AI51089
49562-76-7 | 4-Nitrophenyl octyl ether
Manufacturer: A2B Chem
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CatalogNumber
AI51089
ChemicalName
4-Nitrophenyl octyl ether
CasNumber
49562-76-7
MolecularFormula
C14H21NO3
MolecularWeight
251.3214
MdlNumber
MFCD00043611
Smiles
CCCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
8
Xlogp3
5.3
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CatalogNumber: AI51089
ChemicalName: 4-Nitrophenyl octyl ether
CasNumber: 49562-76-7
MolecularFormula: C14H21NO3
MolecularWeight: 251.3214
MdlNumber: MFCD00043611
Smiles: CCCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 8
Xlogp3: 5.3
CatalogNumber:
AI51089
ChemicalName:
4-Nitrophenyl octyl ether
CasNumber:
49562-76-7
MolecularFormula:
C14H21NO3
MolecularWeight:
251.3214
MdlNumber:
MFCD00043611
Smiles:
CCCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
8
Xlogp3:
5.3
CatalogNumber: AI51090
ChemicalName: 4-Amino-5-methoxy-2-methyl-N-methylbenzenesulfonamide
CasNumber: 49564-57-0
MolecularFormula: C9H14N2O3S
MolecularWeight: 230.2841
MdlNumber: MFCD03788290
Smiles: COc1cc(c(cc1N)C)S(=O)(=O)NC
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AI51090
ChemicalName:
4-Amino-5-methoxy-2-methyl-N-methylbenzenesulfonamide
CasNumber:
49564-57-0
MolecularFormula:
C9H14N2O3S
MolecularWeight:
230.2841
MdlNumber:
MFCD03788290
Smiles:
COc1cc(c(cc1N)C)S(=O)(=O)NC
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
0.5
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Smiles: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])SSc1ccc(cc1[N+](=O)[O-])C(=O)OCC
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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Smiles:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])SSc1ccc(cc1[N+](=O)[O-])C(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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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:
CC(=O)Nc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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