CAS 762266-07-9 4-(Bis(4-fluorophenyl)(hydroxy)methyl)-3-(hydroxymethyl)benzonitrile (HCID 69207115)

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Basic information

CAS: 762266-07-9
Standard SMILES: N#Cc1ccc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)c(CO)c1
InChIKey: BNUIKEORRSAIAY-UHFFFAOYSA-N
Molecular formula: C21H15F2NO2
Average molar mass: 351.3 g/mol
Monoisotopic mass: 351.10708505

Names & identifiers

Preferred name: 4-(Bis(4-fluorophenyl)(hydroxy)methyl)-3-(hydroxymethyl)benzonitrile
IUPAC: 4-[bis(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile
English name: 4-(bis(4-fluorophenyl)(hydroxy)Methyl) -3-(hydroxyMethyl)benzonitrile
Molecular formula: C21H15F2NO2
Molecular weight: 351.35

Names & synonyms

762266-07-94-(Bis(4-fluorophenyl)(hydroxy)methyl)-3-(hydroxymethyl)benzonitrileEscitalopram Impurity NCitalopram Impurity 16DA4VPB4YF3SCHEMBL4829550BNUIKEORRSAIAY-UHFFFAOYSA-NG157823-hydroxymethyl-4-[bis(4-fluorophenyl)hydroxymethyl]benzonitrile4-[Bis(4-fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzonitrileBenzonitrile, 4-[bis(4-fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)-Escitalopram oxalate impurity 7

Show more names

Escitalopram oxalate impurity 054-(bis(4-fluorophenyl)(hydroxy)Methyl) -3-(hydroxyMethyl)benzonitrile

Database identifiers

CAS: 762266-07-9
PubChem CID: 69207115
UNII: DA4VPB4YF3

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 64.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 481

Chemistry & industry

Suppliers21 total

济南百隆化学有限公司[email protected] · [email protected]

绍兴恒创合益生物科技有限公司15158234258 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

Related reactions

2 records

New reaction record

HRID 1203555As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2218540As reactantuspto-grants-2008_08

Compound notes

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