AG22684
550998-67-9 | 7-Fluoro-1-benzothiophene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG22684
ChemicalName
7-Fluoro-1-benzothiophene-2-carboxylic acid
CasNumber
550998-67-9
MolecularFormula
C9H5FO2S
MolecularWeight
196.1982
MdlNumber
MFCD07377074
Smiles
OC(=O)c1cc2c(s1)c(F)ccc2
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AG22684
ChemicalName: 7-Fluoro-1-benzothiophene-2-carboxylic acid
CasNumber: 550998-67-9
MolecularFormula: C9H5FO2S
MolecularWeight: 196.1982
MdlNumber: MFCD07377074
Smiles: OC(=O)c1cc2c(s1)c(F)ccc2
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AG22684
ChemicalName:
7-Fluoro-1-benzothiophene-2-carboxylic acid
CasNumber:
550998-67-9
MolecularFormula:
C9H5FO2S
MolecularWeight:
196.1982
MdlNumber:
MFCD07377074
Smiles:
OC(=O)c1cc2c(s1)c(F)ccc2
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [2H]C(N(P(=O)(N(C([2H])([2H])[2H])C([2H])([2H])[2H])N(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])[2H]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[2H]C(N(P(=O)(N(C([2H])([2H])[2H])C([2H])([2H])[2H])N(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])[2H]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG22686
ChemicalName: (R)-Siphos
CasNumber: 443965-14-8
MolecularFormula: C19H20NO2P
MolecularWeight: 325.3414
MdlNumber: MFCD08459340
Smiles: CN(C)P1OC2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)O1
Complexity: 432
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.8
CatalogNumber:
AG22686
ChemicalName:
(R)-Siphos
CasNumber:
443965-14-8
MolecularFormula:
C19H20NO2P
MolecularWeight:
325.3414
MdlNumber:
MFCD08459340
Smiles:
CN(C)P1OC2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)O1
Complexity:
432
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccc2c(c1)cc(c(=O)[nH]2)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc2c(c1)cc(c(=O)[nH]2)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__