AI41552
1845706-41-3 | N-[2-Nitro-5-(trifluoromethyl)phenyl]methanesulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AI41552
ChemicalName
N-[2-Nitro-5-(trifluoromethyl)phenyl]methanesulfonamide
CasNumber
1845706-41-3
MolecularFormula
C8H7F3N2O4S
MolecularWeight
284.2124
MdlNumber
MFCD28962748
Smiles
[O-][N+](=O)c1ccc(cc1NS(=O)(=O)C)C(F)(F)F
Complexity
412
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AI41552
ChemicalName: N-[2-Nitro-5-(trifluoromethyl)phenyl]methanesulfonamide
CasNumber: 1845706-41-3
MolecularFormula: C8H7F3N2O4S
MolecularWeight: 284.2124
MdlNumber: MFCD28962748
Smiles: [O-][N+](=O)c1ccc(cc1NS(=O)(=O)C)C(F)(F)F
Complexity: 412
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AI41552
ChemicalName:
N-[2-Nitro-5-(trifluoromethyl)phenyl]methanesulfonamide
CasNumber:
1845706-41-3
MolecularFormula:
C8H7F3N2O4S
MolecularWeight:
284.2124
MdlNumber:
MFCD28962748
Smiles:
[O-][N+](=O)c1ccc(cc1NS(=O)(=O)C)C(F)(F)F
Complexity:
412
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AI41553
ChemicalName: Ethyl 1-cyclohexyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber: 1845706-43-5
MolecularFormula: C17H22N2O2
MolecularWeight: 286.3688
MdlNumber: MFCD28962786
Smiles: CCOC(=O)c1ccc2c(c1)nc(n2C1CCCCC1)C
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.8
CatalogNumber:
AI41553
ChemicalName:
Ethyl 1-cyclohexyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber:
1845706-43-5
MolecularFormula:
C17H22N2O2
MolecularWeight:
286.3688
MdlNumber:
MFCD28962786
Smiles:
CCOC(=O)c1ccc2c(c1)nc(n2C1CCCCC1)C
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1nccnc1Cl.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1nccnc1Cl.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI41555
ChemicalName: 8-(3,5-Dibromophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CasNumber: 1845713-73-6
MolecularFormula: C13H15Br2NO2
MolecularWeight: 377.0717
MdlNumber: MFCD28962756
Smiles: Brc1cc(cc(c1)Br)N1CCC2(CC1)OCCO2
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AI41555
ChemicalName:
8-(3,5-Dibromophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CasNumber:
1845713-73-6
MolecularFormula:
C13H15Br2NO2
MolecularWeight:
377.0717
MdlNumber:
MFCD28962756
Smiles:
Brc1cc(cc(c1)Br)N1CCC2(CC1)OCCO2
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.4