AD25522
431-46-9 | Trifluoroacetaldehyde methyl hemiacetal, tech grade
Manufacturer: A2B Chem
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CatalogNumber
AD25522
ChemicalName
Trifluoroacetaldehyde methyl hemiacetal, tech grade
CasNumber
431-46-9
MolecularFormula
C3H5F3O2
MolecularWeight
130.0658
MdlNumber
MFCD00013572
Smiles
COC(C(F)(F)F)O
Complexity
69.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AD25522
ChemicalName: Trifluoroacetaldehyde methyl hemiacetal, tech grade
CasNumber: 431-46-9
MolecularFormula: C3H5F3O2
MolecularWeight: 130.0658
MdlNumber: MFCD00013572
Smiles: COC(C(F)(F)F)O
Complexity: 69.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AD25522
ChemicalName:
Trifluoroacetaldehyde methyl hemiacetal, tech grade
CasNumber:
431-46-9
MolecularFormula:
C3H5F3O2
MolecularWeight:
130.0658
MdlNumber:
MFCD00013572
Smiles:
COC(C(F)(F)F)O
Complexity:
69.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: n1ccc(cc1)c1ccccn1.OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-].OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
n1ccc(cc1)c1ccccn1.OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-].OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AD25535
ChemicalName: 4-(4-Hydroxyphenyl)phenylboronic acid
CasNumber: 477760-86-4
MolecularFormula: C12H11BO3
MolecularWeight: 214.0249
MdlNumber: MFCD20441826
Smiles: Oc1ccc(cc1)c1ccc(cc1)B(O)O
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AD25535
ChemicalName:
4-(4-Hydroxyphenyl)phenylboronic acid
CasNumber:
477760-86-4
MolecularFormula:
C12H11BO3
MolecularWeight:
214.0249
MdlNumber:
MFCD20441826
Smiles:
Oc1ccc(cc1)c1ccc(cc1)B(O)O
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AD25543
ChemicalName: 3-(4-fluoro-3-methylphenyl)phenylacetic acid
CasNumber: 1352318-21-8
MolecularFormula: C15H13FO2
MolecularWeight: 244.2609
MdlNumber: MFCD20529507
Smiles: OC(=O)Cc1cccc(c1)c1ccc(c(c1)C)F
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 3.5
CatalogNumber:
AD25543
ChemicalName:
3-(4-fluoro-3-methylphenyl)phenylacetic acid
CasNumber:
1352318-21-8
MolecularFormula:
C15H13FO2
MolecularWeight:
244.2609
MdlNumber:
MFCD20529507
Smiles:
OC(=O)Cc1cccc(c1)c1ccc(c(c1)C)F
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.5