AB48344
80194-68-9 | 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
Manufacturer: A2B Chem
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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
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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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
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
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: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)O)CSCCN
Complexity:
__
Covalently-bondedUnitCount:
__
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
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
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-2.1
CatalogNumber: AB48347
ChemicalName: Fmoc-Nle-OH
CasNumber: 77284-32-3
MolecularFormula: C21H23NO4
MolecularWeight: 353.4116
MdlNumber: MFCD00037537
Smiles: CCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 472
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 4.5
CatalogNumber:
AB48347
ChemicalName:
Fmoc-Nle-OH
CasNumber:
77284-32-3
MolecularFormula:
C21H23NO4
MolecularWeight:
353.4116
MdlNumber:
MFCD00037537
Smiles:
CCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
472
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
4.5