Dolutegravir Impurity 32

CAT: 1596-AR-D07468-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D07468-02Size:25 Units

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CAS Number

1916490-96-4

Synonyms

(E) -N- (2,4-Difluorobenzyl) -1- (2,4-difluorophenyl) methanimine

Molecular Formula

C14H9F4N

Molecular Weight

267.23

API Name

Dolutegravir

Chemical Information

N-[(2,4-Difluorophenyl)methylene]-2,4-difluoro-benzenemethanamine

CAS Number	1916490-96-4
PubChem CID	168430054
IUPAC Name	1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]methanimine
Molecular Formula	C14H9F4N
Molecular Weight	267.22
XLogP	3.6
Topological Polar Surface Area	12.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	310

SMILES

C1=CC(=C(C=C1F)F)CN=CC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C14H9F4N/c15-11-3-1-9(13(17)5-11)7-19-8-10-2-4-12(16)6-14(10)18/h1-7H,8H2

InChIKey

PGPHQWXWIJMODM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1916490-96-4

CID: 168430054

Formula: C14H9F4N

MW: 267.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.22
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	267.06711194
Monoisotopic Mass	267.06711194
Topological Polar Surface Area	12.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	310
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes