AD38598
1133116-35-4 | 2-Bromo-1-methyl-4-(trifluoromethylsulfonyl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AD38598
ChemicalName
2-Bromo-1-methyl-4-(trifluoromethylsulfonyl)benzene
CasNumber
1133116-35-4
MolecularFormula
C8H6BrF3O2S
MolecularWeight
303.0962
MdlNumber
MFCD11855954
Smiles
Cc1ccc(cc1Br)S(=O)(=O)C(F)(F)F
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
3.4
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CatalogNumber: AD38598
ChemicalName: 2-Bromo-1-methyl-4-(trifluoromethylsulfonyl)benzene
CasNumber: 1133116-35-4
MolecularFormula: C8H6BrF3O2S
MolecularWeight: 303.0962
MdlNumber: MFCD11855954
Smiles: Cc1ccc(cc1Br)S(=O)(=O)C(F)(F)F
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AD38598
ChemicalName:
2-Bromo-1-methyl-4-(trifluoromethylsulfonyl)benzene
CasNumber:
1133116-35-4
MolecularFormula:
C8H6BrF3O2S
MolecularWeight:
303.0962
MdlNumber:
MFCD11855954
Smiles:
Cc1ccc(cc1Br)S(=O)(=O)C(F)(F)F
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc(c1)CCCN1CCOCC1
Complexity: 194
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc(c1)CCCN1CCOCC1
Complexity:
194
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(ccc1OC(F)(F)F)C(C(=O)O)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(ccc1OC(F)(F)F)C(C(=O)O)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD38601
ChemicalName: tert-Butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate
CasNumber: 1133115-87-3
MolecularFormula: C18H22N4O4
MolecularWeight: 358.3917
MdlNumber: MFCD11855903
Smiles: O=C(N1CCN(CC1)c1ccc2c(c1[N+](=O)[O-])cccn2)OC(C)(C)C
Complexity: 522
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AD38601
ChemicalName:
tert-Butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate
CasNumber:
1133115-87-3
MolecularFormula:
C18H22N4O4
MolecularWeight:
358.3917
MdlNumber:
MFCD11855903
Smiles:
O=C(N1CCN(CC1)c1ccc2c(c1[N+](=O)[O-])cccn2)OC(C)(C)C
Complexity:
522
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
2.8