AI55238
70415-86-0 | 1-(Isopropylsulfonyl)-2-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AI55238
ChemicalName
1-(Isopropylsulfonyl)-2-nitrobenzene
CasNumber
70415-86-0
MolecularFormula
C9H11NO4S
MolecularWeight
229.2529
MdlNumber
MFCD13689001
Smiles
[O-][N+](=O)c1ccccc1S(=O)(=O)C(C)C
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AI55238
ChemicalName: 1-(Isopropylsulfonyl)-2-nitrobenzene
CasNumber: 70415-86-0
MolecularFormula: C9H11NO4S
MolecularWeight: 229.2529
MdlNumber: MFCD13689001
Smiles: [O-][N+](=O)c1ccccc1S(=O)(=O)C(C)C
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AI55238
ChemicalName:
1-(Isopropylsulfonyl)-2-nitrobenzene
CasNumber:
70415-86-0
MolecularFormula:
C9H11NO4S
MolecularWeight:
229.2529
MdlNumber:
MFCD13689001
Smiles:
[O-][N+](=O)c1ccccc1S(=O)(=O)C(C)C
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Sc1cccc(c1)[N+](=O)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC(Sc1cccc(c1)[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cnc(c(c1)C#N)Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1cnc(c(c1)C#N)Br
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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CatalogNumber: AI55241
ChemicalName: 6-Bromo-5-cyano-nicotinic acid ethyl ester
CasNumber: 70416-50-1
MolecularFormula: C9H7BrN2O2
MolecularWeight: 255.0681
MdlNumber: MFCD20925447
Smiles: CCOC(=O)c1cnc(c(c1)C#N)Br
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AI55241
ChemicalName:
6-Bromo-5-cyano-nicotinic acid ethyl ester
CasNumber:
70416-50-1
MolecularFormula:
C9H7BrN2O2
MolecularWeight:
255.0681
MdlNumber:
MFCD20925447
Smiles:
CCOC(=O)c1cnc(c(c1)C#N)Br
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.8