Lenalidomide Impurity B

CAT: 1299-RM-L141202-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L141202-04Size:100 mg

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CAS Number

1218910-61-2

Synonyms

Methyl 2- (chloromethyl) -3-nitrobenzoate

Molecular Formula

C9H8ClNO4

Molecular Weight

229.62

Target Alternative Name

Lenalidomide

Product Name Synonym

Methyl 2- (chloromethyl) -3-nitrobenzoate

Chemical Information

Methyl 2-(chloromethyl)-3-nitrobenzoate

CAS Number	1218910-61-2
PubChem CID	46900988
IUPAC Name	methyl 2-(chloromethyl)-3-nitrobenzoate
Molecular Formula	C9H8ClNO4
Molecular Weight	229.62
XLogP	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-])CCl

InChI

InChI=1S/C9H8ClNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3

InChIKey

OGMCDJBYZAKJTP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1218910-61-2

CID: 46900988

Formula: C9H8ClNO4

MW: 229.62

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	229.62
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	229.0141854
Monoisotopic Mass	229.0141854
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