AI40315
1820615-46-0 | 1-(Ethanesulfonyl)-4-nitro-2-(trifluoromethyl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AI40315
ChemicalName
1-(Ethanesulfonyl)-4-nitro-2-(trifluoromethyl)benzene
CasNumber
1820615-46-0
MolecularFormula
C9H8F3NO4S
MolecularWeight
283.2243
MdlNumber
MFCD25953910
Smiles
CCS(=O)(=O)c1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity
409
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
7
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AI40315
ChemicalName: 1-(Ethanesulfonyl)-4-nitro-2-(trifluoromethyl)benzene
CasNumber: 1820615-46-0
MolecularFormula: C9H8F3NO4S
MolecularWeight: 283.2243
MdlNumber: MFCD25953910
Smiles: CCS(=O)(=O)c1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity: 409
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AI40315
ChemicalName:
1-(Ethanesulfonyl)-4-nitro-2-(trifluoromethyl)benzene
CasNumber:
1820615-46-0
MolecularFormula:
C9H8F3NO4S
MolecularWeight:
283.2243
MdlNumber:
MFCD25953910
Smiles:
CCS(=O)(=O)c1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity:
409
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AI40317
ChemicalName: 2-Isopropoxy-1-methanesulfonyl-4-nitrobenzene
CasNumber: 1820617-99-9
MolecularFormula: C10H13NO5S
MolecularWeight: 259.2789
MdlNumber: MFCD26940385
Smiles: CC(Oc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-])C
Complexity: 367
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AI40317
ChemicalName:
2-Isopropoxy-1-methanesulfonyl-4-nitrobenzene
CasNumber:
1820617-99-9
MolecularFormula:
C10H13NO5S
MolecularWeight:
259.2789
MdlNumber:
MFCD26940385
Smiles:
CC(Oc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-])C
Complexity:
367
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.8
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Smiles: COC(=O)c1ccc(cc1)c1cc(C)ccc1OC
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COC(=O)c1ccc(cc1)c1cc(C)ccc1OC
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Smiles: COc1cc(cc(c1)C(=O)OC)c1ccc(cc1)C(=O)OC
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MolecularFormula:
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Smiles:
COc1cc(cc(c1)C(=O)OC)c1ccc(cc1)C(=O)OC
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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