AI40161
1820590-21-3 | 3-Fluoro-N-methanesulfonylbenzenecarboximidamide
Manufacturer: A2B Chem
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CatalogNumber
AI40161
ChemicalName
3-Fluoro-N-methanesulfonylbenzenecarboximidamide
CasNumber
1820590-21-3
MolecularFormula
C8H9FN2O2S
MolecularWeight
216.2327
MdlNumber
MFCD28014036
Smiles
Fc1cccc(c1)C(=N)NS(=O)(=O)C
Complexity
321
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedBondStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AI40161
ChemicalName: 3-Fluoro-N-methanesulfonylbenzenecarboximidamide
CasNumber: 1820590-21-3
MolecularFormula: C8H9FN2O2S
MolecularWeight: 216.2327
MdlNumber: MFCD28014036
Smiles: Fc1cccc(c1)C(=N)NS(=O)(=O)C
Complexity: 321
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedBondStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AI40161
ChemicalName:
3-Fluoro-N-methanesulfonylbenzenecarboximidamide
CasNumber:
1820590-21-3
MolecularFormula:
C8H9FN2O2S
MolecularWeight:
216.2327
MdlNumber:
MFCD28014036
Smiles:
Fc1cccc(c1)C(=N)NS(=O)(=O)C
Complexity:
321
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedBondStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(=NCCCN(CC(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C)CC(O2)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(=NCCCN(CC(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C)CC(O2)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1[C@H]2C[C@H]2CN1C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1[C@H]2C[C@H]2CN1C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CN(C(=O)C1)[C@@H](c1ccccc1)C
Complexity: 323
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CN(C(=O)C1)[C@@H](c1ccccc1)C
Complexity:
323
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
1.2