AA24377
1195768-18-3 | Methyl 3-amino-2-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA24377
ChemicalName
Methyl 3-amino-2-fluorobenzoate
CasNumber
1195768-18-3
MolecularFormula
C8H8FNO2
MolecularWeight
169.153
MdlNumber
MFCD12923265
Smiles
COC(=O)c1cccc(c1F)N
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AA24377
ChemicalName: Methyl 3-amino-2-fluorobenzoate
CasNumber: 1195768-18-3
MolecularFormula: C8H8FNO2
MolecularWeight: 169.153
MdlNumber: MFCD12923265
Smiles: COC(=O)c1cccc(c1F)N
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AA24377
ChemicalName:
Methyl 3-amino-2-fluorobenzoate
CasNumber:
1195768-18-3
MolecularFormula:
C8H8FNO2
MolecularWeight:
169.153
MdlNumber:
MFCD12923265
Smiles:
COC(=O)c1cccc(c1F)N
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AA24378
ChemicalName: Dabrafenib mesylate
CasNumber: 1195768-06-9
MolecularFormula: C24H24F3N5O5S3
MolecularWeight: 615.6681
MdlNumber: MFCD20922872
Smiles: CS(=O)(=O)O.Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
Complexity: 910
Covalently-bondedUnitCount: 2
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AA24378
ChemicalName:
Dabrafenib mesylate
CasNumber:
1195768-06-9
MolecularFormula:
C24H24F3N5O5S3
MolecularWeight:
615.6681
MdlNumber:
MFCD20922872
Smiles:
CS(=O)(=O)O.Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
Complexity:
910
Covalently-bondedUnitCount:
2
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
Complexity: 817
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
Complexity:
817
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CON1c2cc(O)ccc2[C@@]2(C1=O)C[C@@H]1N=C([C@@H]3C[C@H]2OC[C@H]13)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CON1c2cc(O)ccc2[C@@]2(C1=O)C[C@@H]1N=C([C@@H]3C[C@H]2OC[C@H]13)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__