AI41047
1820740-06-4 | 1-Chloro-5-fluoro-4-methanesulfonyl-2-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AI41047
ChemicalName
1-Chloro-5-fluoro-4-methanesulfonyl-2-nitrobenzene
CasNumber
1820740-06-4
MolecularFormula
C7H5ClFNO4S
MolecularWeight
253.6353
MdlNumber
MFCD27936860
Smiles
[O-][N+](=O)c1cc(c(cc1Cl)F)S(=O)(=O)C
Complexity
349
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AI41047
ChemicalName: 1-Chloro-5-fluoro-4-methanesulfonyl-2-nitrobenzene
CasNumber: 1820740-06-4
MolecularFormula: C7H5ClFNO4S
MolecularWeight: 253.6353
MdlNumber: MFCD27936860
Smiles: [O-][N+](=O)c1cc(c(cc1Cl)F)S(=O)(=O)C
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AI41047
ChemicalName:
1-Chloro-5-fluoro-4-methanesulfonyl-2-nitrobenzene
CasNumber:
1820740-06-4
MolecularFormula:
C7H5ClFNO4S
MolecularWeight:
253.6353
MdlNumber:
MFCD27936860
Smiles:
[O-][N+](=O)c1cc(c(cc1Cl)F)S(=O)(=O)C
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCCN(C(=O)c1ccnc(c1)OC)C
Complexity: 214
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCN(C(=O)c1ccnc(c1)OC)C
Complexity:
214
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc2c1CN(C2=O)C(C)(C)C
Complexity: 282
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc2c1CN(C2=O)C(C)(C)C
Complexity:
282
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(N)cc(c1)c1ccc2c(c1)OCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(N)cc(c1)c1ccc2c(c1)OCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__