AB48830
6267-34-1 | 2-bromo-5-methoxy-1,3-dimethylbenzene
Manufacturer: A2B Chem
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CatalogNumber
AB48830
ChemicalName
2-bromo-5-methoxy-1,3-dimethylbenzene
CasNumber
6267-34-1
MolecularFormula
C9H11BrO
MolecularWeight
215.087
MdlNumber
MFCD00461692
Smiles
COc1cc(C)c(c(c1)C)Br
NscNumber
37991
Complexity
115
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
3.3
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CatalogNumber: AB48830
ChemicalName: 2-bromo-5-methoxy-1,3-dimethylbenzene
CasNumber: 6267-34-1
MolecularFormula: C9H11BrO
MolecularWeight: 215.087
MdlNumber: MFCD00461692
Smiles: COc1cc(C)c(c(c1)C)Br
NscNumber: 37991
Complexity: 115
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AB48830
ChemicalName:
2-bromo-5-methoxy-1,3-dimethylbenzene
CasNumber:
6267-34-1
MolecularFormula:
C9H11BrO
MolecularWeight:
215.087
MdlNumber:
MFCD00461692
Smiles:
COc1cc(C)c(c(c1)C)Br
NscNumber:
37991
Complexity:
115
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCCCCCCC#N
NscNumber: __
Complexity: 135
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCCCCCCC#N
NscNumber:
__
Complexity:
135
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1SC(=Cc2ccc(o2)c2ccc(cc2O)F)C(=O)N1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1SC(=Cc2ccc(o2)c2ccc(cc2O)F)C(=O)N1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48833
ChemicalName: Sodium 3-methoxy-3-oxopropane-1-sulfinate
CasNumber: 90030-48-1
MolecularFormula: C4H7NaO4S
MolecularWeight: 174.1507
MdlNumber: MFCD07776796
Smiles: [O-]S(=O)CCC(=O)OC.[Na+]
NscNumber: __
Complexity: 126
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB48833
ChemicalName:
Sodium 3-methoxy-3-oxopropane-1-sulfinate
CasNumber:
90030-48-1
MolecularFormula:
C4H7NaO4S
MolecularWeight:
174.1507
MdlNumber:
MFCD07776796
Smiles:
[O-]S(=O)CCC(=O)OC.[Na+]
NscNumber:
__
Complexity:
126
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
__