AI52363
552-45-4 | 2-Methylbenzyl chloride
Manufacturer: A2B Chem
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CatalogNumber
AI52363
ChemicalName
2-Methylbenzyl chloride
CasNumber
552-45-4
MolecularFormula
C8H9Cl
MolecularWeight
140.6101
MdlNumber
MFCD00000899
Smiles
CC1=CC=CC=C1CCl
Complexity
80.6
Covalently-bondedUnitCount
1
HeavyAtomCount
9
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AI52363
ChemicalName: 2-Methylbenzyl chloride
CasNumber: 552-45-4
MolecularFormula: C8H9Cl
MolecularWeight: 140.6101
MdlNumber: MFCD00000899
Smiles: CC1=CC=CC=C1CCl
Complexity: 80.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AI52363
ChemicalName:
2-Methylbenzyl chloride
CasNumber:
552-45-4
MolecularFormula:
C8H9Cl
MolecularWeight:
140.6101
MdlNumber:
MFCD00000899
Smiles:
CC1=CC=CC=C1CCl
Complexity:
80.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: AI52364
ChemicalName: Prunetin
CasNumber: 552-59-0
MolecularFormula: C16H12O5
MolecularWeight: 284.2635
MdlNumber: MFCD00016951
Smiles: COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O
Complexity: 424
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AI52364
ChemicalName:
Prunetin
CasNumber:
552-59-0
MolecularFormula:
C16H12O5
MolecularWeight:
284.2635
MdlNumber:
MFCD00016951
Smiles:
COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O
Complexity:
424
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1OC(Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)C(C(C1O)O)O
Complexity: 644
Covalently-bondedUnitCount: __
HeavyAtomCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1OC(Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)C(C(C1O)O)O
Complexity:
644
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: AI52367
ChemicalName: 2,9-Dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
CasNumber: 5521-31-3
MolecularFormula: C26H14N2O4
MolecularWeight: 418.4004
MdlNumber: MFCD20265186
Smiles: CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)C)C1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI52367
ChemicalName:
2,9-Dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
CasNumber:
5521-31-3
MolecularFormula:
C26H14N2O4
MolecularWeight:
418.4004
MdlNumber:
MFCD20265186
Smiles:
CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)C)C1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
RotatableBondCount:
__
Xlogp3:
__