AI53610
61081-34-3 | 1-(Methanesulfonylmethyl)-4-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AI53610
ChemicalName
1-(Methanesulfonylmethyl)-4-nitrobenzene
CasNumber
61081-34-3
MolecularFormula
C8H9NO4S
MolecularWeight
215.22636000000006
MdlNumber
MFCD27926301
Smiles
[O-][N+](=O)c1ccc(cc1)CS(=O)(=O)C
NscNumber
147344
Complexity
292
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AI53610
ChemicalName: 1-(Methanesulfonylmethyl)-4-nitrobenzene
CasNumber: 61081-34-3
MolecularFormula: C8H9NO4S
MolecularWeight: 215.22636000000006
MdlNumber: MFCD27926301
Smiles: [O-][N+](=O)c1ccc(cc1)CS(=O)(=O)C
NscNumber: 147344
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AI53610
ChemicalName:
1-(Methanesulfonylmethyl)-4-nitrobenzene
CasNumber:
61081-34-3
MolecularFormula:
C8H9NO4S
MolecularWeight:
215.22636000000006
MdlNumber:
MFCD27926301
Smiles:
[O-][N+](=O)c1ccc(cc1)CS(=O)(=O)C
NscNumber:
147344
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNCCS(=O)(=O)c1ccc(cc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCCS(=O)(=O)c1ccc(cc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI53612
ChemicalName: 3-Methyl-4-nitroaniline
CasNumber: 611-05-2
MolecularFormula: C7H8N2O2
MolecularWeight: 152.1506
MdlNumber: MFCD00091833
Smiles: Nc1ccc(c(c1)C)[N+](=O)[O-]
NscNumber: 17041
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AI53612
ChemicalName:
3-Methyl-4-nitroaniline
CasNumber:
611-05-2
MolecularFormula:
C7H8N2O2
MolecularWeight:
152.1506
MdlNumber:
MFCD00091833
Smiles:
Nc1ccc(c(c1)C)[N+](=O)[O-]
NscNumber:
17041
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(c(c1)Cl)N(=O)=O
NscNumber: __
Complexity: 159
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(c(c1)Cl)N(=O)=O
NscNumber:
__
Complexity:
159
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1