AA32897
1197231-94-9 | 1-[4-Bromo-2-(trifluoromethyl)phenyl]ethan-1-one
Manufacturer: A2B Chem
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CatalogNumber
AA32897
ChemicalName
1-[4-Bromo-2-(trifluoromethyl)phenyl]ethan-1-one
CasNumber
1197231-94-9
MolecularFormula
C9H6BrF3O
MolecularWeight
267.0425
MdlNumber
MFCD16839140
Smiles
Brc1ccc(c(c1)C(F)(F)F)C(=O)C
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AA32897
ChemicalName: 1-[4-Bromo-2-(trifluoromethyl)phenyl]ethan-1-one
CasNumber: 1197231-94-9
MolecularFormula: C9H6BrF3O
MolecularWeight: 267.0425
MdlNumber: MFCD16839140
Smiles: Brc1ccc(c(c1)C(F)(F)F)C(=O)C
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AA32897
ChemicalName:
1-[4-Bromo-2-(trifluoromethyl)phenyl]ethan-1-one
CasNumber:
1197231-94-9
MolecularFormula:
C9H6BrF3O
MolecularWeight:
267.0425
MdlNumber:
MFCD16839140
Smiles:
Brc1ccc(c(c1)C(F)(F)F)C(=O)C
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: AA32898
ChemicalName: 3-Amino-3-pyridin-2-yl-propionic acid methyl ester dihydrochloride
CasNumber: 1197231-86-9
MolecularFormula: C9H14Cl2N2O2
MolecularWeight: 253.1257
MdlNumber: MFCD06740410
Smiles: COC(=O)CC(c1ccccn1)N.Cl.Cl
Complexity: 173
Covalently-bondedUnitCount: 3
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AA32898
ChemicalName:
3-Amino-3-pyridin-2-yl-propionic acid methyl ester dihydrochloride
CasNumber:
1197231-86-9
MolecularFormula:
C9H14Cl2N2O2
MolecularWeight:
253.1257
MdlNumber:
MFCD06740410
Smiles:
COC(=O)CC(c1ccccn1)N.Cl.Cl
Complexity:
173
Covalently-bondedUnitCount:
3
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: AA32899
ChemicalName: 1H-Pyrazole-4-carboxaldehyde hydrochloride
CasNumber: 1197230-88-8
MolecularFormula: C4H5ClN2O
MolecularWeight: 132.5483
MdlNumber: MFCD09759205
Smiles: O=Cc1c[nH]nc1.Cl
Complexity: 74.1
Covalently-bondedUnitCount: 2
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AA32899
ChemicalName:
1H-Pyrazole-4-carboxaldehyde hydrochloride
CasNumber:
1197230-88-8
MolecularFormula:
C4H5ClN2O
MolecularWeight:
132.5483
MdlNumber:
MFCD09759205
Smiles:
O=Cc1c[nH]nc1.Cl
Complexity:
74.1
Covalently-bondedUnitCount:
2
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1cc(c(n1)C)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1cc(c(n1)C)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__