AB49076
4549-33-1 | 1,9-Dibromononane
Manufacturer: A2B Chem
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CatalogNumber
AB49076
ChemicalName
1,9-Dibromononane
CasNumber
4549-33-1
MolecularFormula
C9H18Br2
MolecularWeight
286.0472
MdlNumber
MFCD00000279
Smiles
BrCCCCCCCCCBr
NscNumber
62682
Complexity
56.6
Covalently-bondedUnitCount
1
HeavyAtomCount
11
RotatableBondCount
8
Xlogp3
5.3
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CatalogNumber: AB49076
ChemicalName: 1,9-Dibromononane
CasNumber: 4549-33-1
MolecularFormula: C9H18Br2
MolecularWeight: 286.0472
MdlNumber: MFCD00000279
Smiles: BrCCCCCCCCCBr
NscNumber: 62682
Complexity: 56.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
RotatableBondCount: 8
Xlogp3: 5.3
CatalogNumber:
AB49076
ChemicalName:
1,9-Dibromononane
CasNumber:
4549-33-1
MolecularFormula:
C9H18Br2
MolecularWeight:
286.0472
MdlNumber:
MFCD00000279
Smiles:
BrCCCCCCCCCBr
NscNumber:
62682
Complexity:
56.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
RotatableBondCount:
8
Xlogp3:
5.3
CatalogNumber: AB49077
ChemicalName: 2-Hydroxy-4-(trifluoromethyl)aniline
CasNumber: 454-82-0
MolecularFormula: C7H6F3NO
MolecularWeight: 177.1238
MdlNumber: MFCD08056279
Smiles: Nc1ccc(cc1O)C(F)(F)F
NscNumber: __
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AB49077
ChemicalName:
2-Hydroxy-4-(trifluoromethyl)aniline
CasNumber:
454-82-0
MolecularFormula:
C7H6F3NO
MolecularWeight:
177.1238
MdlNumber:
MFCD08056279
Smiles:
Nc1ccc(cc1O)C(F)(F)F
NscNumber:
__
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: AB49078
ChemicalName: N6-Benzoyladenosine
CasNumber: 4546-55-8
MolecularFormula: C17H17N5O5
MolecularWeight: 371.3474
MdlNumber: MFCD27977441
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC(=O)c1ccccc1
NscNumber: __
Complexity: 534
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
RotatableBondCount: 4
Xlogp3: -0.1
CatalogNumber:
AB49078
ChemicalName:
N6-Benzoyladenosine
CasNumber:
4546-55-8
MolecularFormula:
C17H17N5O5
MolecularWeight:
371.3474
MdlNumber:
MFCD27977441
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC(=O)c1ccccc1
NscNumber:
__
Complexity:
534
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
RotatableBondCount:
4
Xlogp3:
-0.1
CatalogNumber: AB49079
ChemicalName: 4-(1-Methyl-piperidin-4-yl)-aniline
CasNumber: 454482-12-3
MolecularFormula: C12H18N2
MolecularWeight: 190.2847
MdlNumber: MFCD06804550
Smiles: CN1CCC(CC1)c1ccc(cc1)N
NscNumber: __
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB49079
ChemicalName:
4-(1-Methyl-piperidin-4-yl)-aniline
CasNumber:
454482-12-3
MolecularFormula:
C12H18N2
MolecularWeight:
190.2847
MdlNumber:
MFCD06804550
Smiles:
CN1CCC(CC1)c1ccc(cc1)N
NscNumber:
__
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
RotatableBondCount:
1
Xlogp3:
1.8