AB68964
4595-64-6 | 5-Bromo-4-butylpyrimidine
Manufacturer: A2B Chem
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CatalogNumber
AB68964
ChemicalName
5-Bromo-4-butylpyrimidine
CasNumber
4595-64-6
MolecularFormula
C8H11BrN2
MolecularWeight
215.0903
MdlNumber
MFCD09800931
Smiles
CCCCc1ncncc1Br
Complexity
108
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AB68964
ChemicalName: 5-Bromo-4-butylpyrimidine
CasNumber: 4595-64-6
MolecularFormula: C8H11BrN2
MolecularWeight: 215.0903
MdlNumber: MFCD09800931
Smiles: CCCCc1ncncc1Br
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AB68964
ChemicalName:
5-Bromo-4-butylpyrimidine
CasNumber:
4595-64-6
MolecularFormula:
C8H11BrN2
MolecularWeight:
215.0903
MdlNumber:
MFCD09800931
Smiles:
CCCCc1ncncc1Br
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: AB68965
ChemicalName: X-Gal
CasNumber: 7240-90-6
MolecularFormula: C14H15BrClNO6
MolecularWeight: 408.629
MdlNumber: MFCD00041529
Smiles: OC[C@H]1O[C@@H](Oc2c[nH]c3c2c(Cl)c(cc3)Br)[C@@H]([C@H]([C@H]1O)O)O
Complexity: 421
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB68965
ChemicalName:
X-Gal
CasNumber:
7240-90-6
MolecularFormula:
C14H15BrClNO6
MolecularWeight:
408.629
MdlNumber:
MFCD00041529
Smiles:
OC[C@H]1O[C@@H](Oc2c[nH]c3c2c(Cl)c(cc3)Br)[C@@H]([C@H]([C@H]1O)O)O
Complexity:
421
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
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Smiles: Clc1c(Br)ccc2c1c(c[nH]2)OP(=O)([O-])[O-].Cc1ccc(cc1)[NH3+].Cc1ccc(cc1)[NH3+]
Complexity: __
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Smiles:
Clc1c(Br)ccc2c1c(c[nH]2)OP(=O)([O-])[O-].Cc1ccc(cc1)[NH3+].Cc1ccc(cc1)[NH3+]
Complexity:
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Smiles: [O-]C(=O)[C@H]1O[C@@H](Oc2c[nH]c3c2c(Cl)c(cc3)Br)[C@@H]([C@H]([C@@H]1O)O)O.[NH3+]C1CCCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-]C(=O)[C@H]1O[C@@H](Oc2c[nH]c3c2c(Cl)c(cc3)Br)[C@@H]([C@H]([C@@H]1O)O)O.[NH3+]C1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__