AB49900
477535-41-4 | 3-Bromo-5-trifluoromethylbenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB49900
ChemicalName
3-Bromo-5-trifluoromethylbenzaldehyde
CasNumber
477535-41-4
MolecularFormula
C8H4BrF3O
MolecularWeight
253.016
MdlNumber
MFCD08059506
Smiles
O=Cc1cc(Br)cc(c1)C(F)(F)F
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AB49900
ChemicalName: 3-Bromo-5-trifluoromethylbenzaldehyde
CasNumber: 477535-41-4
MolecularFormula: C8H4BrF3O
MolecularWeight: 253.016
MdlNumber: MFCD08059506
Smiles: O=Cc1cc(Br)cc(c1)C(F)(F)F
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB49900
ChemicalName:
3-Bromo-5-trifluoromethylbenzaldehyde
CasNumber:
477535-41-4
MolecularFormula:
C8H4BrF3O
MolecularWeight:
253.016
MdlNumber:
MFCD08059506
Smiles:
O=Cc1cc(Br)cc(c1)C(F)(F)F
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AB49901
ChemicalName: 3-Hydroxy-2-pyrone
CasNumber: 496-64-0
MolecularFormula: C5H4O3
MolecularWeight: 112.0835
MdlNumber: MFCD01318559
Smiles: O=c1occcc1O
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AB49901
ChemicalName:
3-Hydroxy-2-pyrone
CasNumber:
496-64-0
MolecularFormula:
C5H4O3
MolecularWeight:
112.0835
MdlNumber:
MFCD01318559
Smiles:
O=c1occcc1O
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC[N+](CCCC)(CCCC)CCCC.[F-].O
Complexity: 116
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC[N+](CCCC)(CCCC)CCCC.[F-].O
Complexity:
116
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49903
ChemicalName: 4-(Aminomethyl)pyrimidine
CasNumber: 45588-79-2
MolecularFormula: C5H7N3
MolecularWeight: 109.1292
MdlNumber: MFCD06796202
Smiles: NCc1ccncn1
Complexity: 64.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: -1.3
CatalogNumber:
AB49903
ChemicalName:
4-(Aminomethyl)pyrimidine
CasNumber:
45588-79-2
MolecularFormula:
C5H7N3
MolecularWeight:
109.1292
MdlNumber:
MFCD06796202
Smiles:
NCc1ccncn1
Complexity:
64.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
-1.3