AB48343
711085-63-1 | (R)-4-Chloro-N-(quinuclidin-3-yl)benzamide
Manufacturer: A2B Chem
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CatalogNumber
AB48343
ChemicalName
(R)-4-Chloro-N-(quinuclidin-3-yl)benzamide
CasNumber
711085-63-1
MolecularFormula
C14H17ClN2O
MolecularWeight
264.75058000000007
MdlNumber
MFCD08703110
Smiles
O=C(c1ccc(cc1)Cl)N[C@H]1CN2CCC1CC2
Complexity
307
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AB48343
ChemicalName: (R)-4-Chloro-N-(quinuclidin-3-yl)benzamide
CasNumber: 711085-63-1
MolecularFormula: C14H17ClN2O
MolecularWeight: 264.75058000000007
MdlNumber: MFCD08703110
Smiles: O=C(c1ccc(cc1)Cl)N[C@H]1CN2CCC1CC2
Complexity: 307
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB48343
ChemicalName:
(R)-4-Chloro-N-(quinuclidin-3-yl)benzamide
CasNumber:
711085-63-1
MolecularFormula:
C14H17ClN2O
MolecularWeight:
264.75058000000007
MdlNumber:
MFCD08703110
Smiles:
O=C(c1ccc(cc1)Cl)N[C@H]1CN2CCC1CC2
Complexity:
307
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: AB48344
ChemicalName: 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
CasNumber: 80194-68-9
MolecularFormula: C7H3ClF3NO2
MolecularWeight: 225.5524
MdlNumber: MFCD00277482
Smiles: OC(=O)c1ncc(cc1Cl)C(F)(F)F
Complexity: 234
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB48344
ChemicalName:
3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
CasNumber:
80194-68-9
MolecularFormula:
C7H3ClF3NO2
MolecularWeight:
225.5524
MdlNumber:
MFCD00277482
Smiles:
OC(=O)c1ncc(cc1Cl)C(F)(F)F
Complexity:
234
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)O)CSCCN
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)O)CSCCN
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48346
ChemicalName: (S)-3-Amino-3-(3-nitro-phenyl)-propionic acid
CasNumber: 734529-57-8
MolecularFormula: C9H10N2O4
MolecularWeight: 210.1867
MdlNumber: MFCD04113693
Smiles: OC(=O)C[C@@H](c1cccc(c1)[N+](=O)[O-])N
Complexity: 251
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -2.1
CatalogNumber:
AB48346
ChemicalName:
(S)-3-Amino-3-(3-nitro-phenyl)-propionic acid
CasNumber:
734529-57-8
MolecularFormula:
C9H10N2O4
MolecularWeight:
210.1867
MdlNumber:
MFCD04113693
Smiles:
OC(=O)C[C@@H](c1cccc(c1)[N+](=O)[O-])N
Complexity:
251
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-2.1