Maribavir Impurity 27

CAT: 1299-RM-M383027-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M383027-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

5462-30-6

Synonyms

N- (4,5-dichloro-2-nitrophenyl) acetamide

Molecular Formula

C8H6Cl2N2O3

Molecular Weight

249.05

Target Alternative Name

Maribavir

Chemical Information

4',5'-Dichloro-2'-nitroacetanilide

CAS Number	5462-30-6
PubChem CID	226498
IUPAC Name	N-(4,5-dichloro-2-nitrophenyl)acetamide
Molecular Formula	C8H6Cl2N2O3
Molecular Weight	249.05
XLogP	2.4
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	269

SMILES

CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13)

InChIKey

ZEGRPTYRAGSSBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5462-30-6

CID: 226498

Formula: C8H6Cl2N2O3

MW: 249.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.05
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	247.9755474
Monoisotopic Mass	247.9755474
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	269
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