AB51440
103146-26-5 | 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide
Manufacturer: A2B Chem
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CatalogNumber
AB51440
ChemicalName
4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide
CasNumber
103146-26-5
MolecularFormula
C20H24BrFN2O2
MolecularWeight
423.3192
MdlNumber
MFCD08436978
Smiles
OCc1cc(C#N)ccc1C(c1ccc(cc1)F)(CCCN(C)C)O.Br
Complexity
456
Covalently-bondedUnitCount
2
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB51440
ChemicalName: 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide
CasNumber: 103146-26-5
MolecularFormula: C20H24BrFN2O2
MolecularWeight: 423.3192
MdlNumber: MFCD08436978
Smiles: OCc1cc(C#N)ccc1C(c1ccc(cc1)F)(CCCN(C)C)O.Br
Complexity: 456
Covalently-bondedUnitCount: 2
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB51440
ChemicalName:
4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide
CasNumber:
103146-26-5
MolecularFormula:
C20H24BrFN2O2
MolecularWeight:
423.3192
MdlNumber:
MFCD08436978
Smiles:
OCc1cc(C#N)ccc1C(c1ccc(cc1)F)(CCCN(C)C)O.Br
Complexity:
456
Covalently-bondedUnitCount:
2
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
CatalogNumber: AB51441
ChemicalName: 2-Aminoterephthalic acid
CasNumber: 10312-55-7
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00134536
Smiles: OC(=O)c1ccc(c(c1)N)C(=O)O
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AB51441
ChemicalName:
2-Aminoterephthalic acid
CasNumber:
10312-55-7
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00134536
Smiles:
OC(=O)c1ccc(c(c1)N)C(=O)O
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Complexity: 235
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Complexity:
235
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1C(=O)C)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1C(=O)C)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__