Lenalidomide Impurity 46

CAT: 1299-RM-L141246-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L141246-02Size:25 mg

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CAS Number

98475-07-1

Synonyms

Methyl 2- (bromomethyl) -3-nitrobenzoate

Molecular Formula

C9H8BrNO4

Molecular Weight

274.07

Target Alternative Name

Lenalidomide

Product Name Synonym

Methyl 2- (bromomethyl) -3-nitrobenzoate

Chemical Information

Methyl 2-(bromomethyl)-3-nitrobenzoate

CAS Number	98475-07-1
PubChem CID	1487795
IUPAC Name	methyl 2-(bromomethyl)-3-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(=CC=C1)[N+](=O)[O-])CBr

InChI

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

InChIKey

FCGIVHSBEKGQMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98475-07-1

CID: 1487795

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