AI41039
1820739-59-0 | 1-Bromo-4-methanesulfonyl-2-nitro-5-(trifluoromethoxy)benzene
Manufacturer: A2B Chem
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CatalogNumber
AI41039
ChemicalName
1-Bromo-4-methanesulfonyl-2-nitro-5-(trifluoromethoxy)benzene
CasNumber
1820739-59-0
MolecularFormula
C8H5BrF3NO5S
MolecularWeight
364.0932
MdlNumber
MFCD28369615
Smiles
[O-][N+](=O)c1cc(c(cc1Br)OC(F)(F)F)S(=O)(=O)C
Complexity
443
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
8
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AI41039
ChemicalName: 1-Bromo-4-methanesulfonyl-2-nitro-5-(trifluoromethoxy)benzene
CasNumber: 1820739-59-0
MolecularFormula: C8H5BrF3NO5S
MolecularWeight: 364.0932
MdlNumber: MFCD28369615
Smiles: [O-][N+](=O)c1cc(c(cc1Br)OC(F)(F)F)S(=O)(=O)C
Complexity: 443
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 8
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AI41039
ChemicalName:
1-Bromo-4-methanesulfonyl-2-nitro-5-(trifluoromethoxy)benzene
CasNumber:
1820739-59-0
MolecularFormula:
C8H5BrF3NO5S
MolecularWeight:
364.0932
MdlNumber:
MFCD28369615
Smiles:
[O-][N+](=O)c1cc(c(cc1Br)OC(F)(F)F)S(=O)(=O)C
Complexity:
443
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
8
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(n1ccc2c1nc[nH]c2=O)OC(C)(C)C
Complexity: 373
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(n1ccc2c1nc[nH]c2=O)OC(C)(C)C
Complexity:
373
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AI41045
ChemicalName: 2,5-Dioxopyrrolidin-1-yl 1-(trifluoromethyl)cyclobutanecarboxylate
CasNumber: 1820739-93-2
MolecularFormula: C10H10F3NO4
MolecularWeight: 265.1859
MdlNumber: MFCD09951811
Smiles: O=C1CCC(=O)N1OC(=O)C1(CCC1)C(F)(F)F
Complexity: 398
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AI41045
ChemicalName:
2,5-Dioxopyrrolidin-1-yl 1-(trifluoromethyl)cyclobutanecarboxylate
CasNumber:
1820739-93-2
MolecularFormula:
C10H10F3NO4
MolecularWeight:
265.1859
MdlNumber:
MFCD09951811
Smiles:
O=C1CCC(=O)N1OC(=O)C1(CCC1)C(F)(F)F
Complexity:
398
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1F)F)N.Cl
Complexity: 118
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1F)F)N.Cl
Complexity:
118
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__