AB50421
1114808-87-5 | 2-Bromo-4-(trifluoromethoxy)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB50421
ChemicalName
2-Bromo-4-(trifluoromethoxy)benzaldehyde
CasNumber
1114808-87-5
MolecularFormula
C8H4BrF3O2
MolecularWeight
269.0154
MdlNumber
MFCD09835093
Smiles
O=Cc1ccc(cc1Br)OC(F)(F)F
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AB50421
ChemicalName: 2-Bromo-4-(trifluoromethoxy)benzaldehyde
CasNumber: 1114808-87-5
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0154
MdlNumber: MFCD09835093
Smiles: O=Cc1ccc(cc1Br)OC(F)(F)F
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB50421
ChemicalName:
2-Bromo-4-(trifluoromethoxy)benzaldehyde
CasNumber:
1114808-87-5
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0154
MdlNumber:
MFCD09835093
Smiles:
O=Cc1ccc(cc1Br)OC(F)(F)F
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ncc2c(n1)c(Cl)ncn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ncc2c(n1)c(Cl)ncn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50423
ChemicalName: Methyl 2,2,2-trimethoxyacetate
CasNumber: 18370-95-1
MolecularFormula: C6H12O5
MolecularWeight: 164.1565
MdlNumber: MFCD09701200
Smiles: COC(=O)C(OC)(OC)OC
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: -0.2
CatalogNumber:
AB50423
ChemicalName:
Methyl 2,2,2-trimethoxyacetate
CasNumber:
18370-95-1
MolecularFormula:
C6H12O5
MolecularWeight:
164.1565
MdlNumber:
MFCD09701200
Smiles:
COC(=O)C(OC)(OC)OC
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
-0.2
CatalogNumber: AB50424
ChemicalName: Beta-nicotinamide mononucleotide
CasNumber: 1094-61-7
MolecularFormula: C11H15N2O8P
MolecularWeight: 334.2192
MdlNumber: MFCD00038748
Smiles: O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)N)COP(=O)(O)[O-]
Complexity: 455
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 8
RotatableBondCount: 5
Xlogp3: -3.5
CatalogNumber:
AB50424
ChemicalName:
Beta-nicotinamide mononucleotide
CasNumber:
1094-61-7
MolecularFormula:
C11H15N2O8P
MolecularWeight:
334.2192
MdlNumber:
MFCD00038748
Smiles:
O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)N)COP(=O)(O)[O-]
Complexity:
455
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
8
RotatableBondCount:
5
Xlogp3:
-3.5