Lenalidomide Impurity 105

CAT: 1299-RM-L141305-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L141305-02Size:25 mg

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CAS Number

133446-99-8

Synonyms

Methyl 2- (bromomethyl) -4-nitrobenzoate

Molecular Formula

C9H8BrNO4

Molecular Weight

274.07

Target Alternative Name

Lenalidomide

Product Name Synonym

Methyl 2- (bromomethyl) -4-nitrobenzoate

Chemical Information

Methyl 2-(bromomethyl)-4-nitrobenzoate

CAS Number	133446-99-8
PubChem CID	15088701
IUPAC Name	methyl 2-(bromomethyl)-4-nitrobenzoate
Molecular Formula	C9H8BrNO4
Molecular Weight	274.07
XLogP	2.2
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	253

SMILES

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CBr

InChI

InChI=1S/C9H8BrNO4/c1-15-9(12)8-3-2-7(11(13)14)4-6(8)5-10/h2-4H,5H2,1H3

InChIKey

PGNKFDOPHHNVNF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133446-99-8

CID: 15088701

Formula: C9H8BrNO4

MW: 274.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	274.07
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	272.96367
Monoisotopic Mass	272.96367
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	253
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