AI46833
29959-92-0 | 3-Bromophenylmethylsulfoxide
Manufacturer: A2B Chem
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CatalogNumber
AI46833
ChemicalName
3-Bromophenylmethylsulfoxide
CasNumber
29959-92-0
MolecularFormula
C14H12Br2OS
MolecularWeight
388.11748000000006
MdlNumber
MFCD18785700
Smiles
O=S(Cc1cccc(c1)Br)Cc1cccc(c1)Br
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AI46833
ChemicalName: 3-Bromophenylmethylsulfoxide
CasNumber: 29959-92-0
MolecularFormula: C14H12Br2OS
MolecularWeight: 388.11748000000006
MdlNumber: MFCD18785700
Smiles: O=S(Cc1cccc(c1)Br)Cc1cccc(c1)Br
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AI46833
ChemicalName:
3-Bromophenylmethylsulfoxide
CasNumber:
29959-92-0
MolecularFormula:
C14H12Br2OS
MolecularWeight:
388.11748000000006
MdlNumber:
MFCD18785700
Smiles:
O=S(Cc1cccc(c1)Br)Cc1cccc(c1)Br
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: AI46834
ChemicalName: 4-Nitrophenethylamine, HCl
CasNumber: 29968-78-3
MolecularFormula: C8H11ClN2O2
MolecularWeight: 202.6381
MdlNumber: MFCD00012900
Smiles: NCCc1ccc(cc1)[N+](=O)[O-].Cl
Complexity: 148
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AI46834
ChemicalName:
4-Nitrophenethylamine, HCl
CasNumber:
29968-78-3
MolecularFormula:
C8H11ClN2O2
MolecularWeight:
202.6381
MdlNumber:
MFCD00012900
Smiles:
NCCc1ccc(cc1)[N+](=O)[O-].Cl
Complexity:
148
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#CC(c1cccc(c1)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#CC(c1cccc(c1)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__