Alogliptin Impurity 41

CAT: 1596-AR-A06006-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-A06006-05Size:150

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

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CAS Number

872414-52-3

Synonyms

2- (Bromomethyl) Benzamide

Molecular Formula

C8H8BrNO

Molecular Weight

214.06

API Name

Alogliptin

Chemical Information

2-(Bromomethyl)benzamide

CAS Number	872414-52-3
PubChem CID	57486653
IUPAC Name	2-(bromomethyl)benzamide
Molecular Formula	C8H8BrNO
Molecular Weight	214.06
XLogP	1
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

C1=CC=C(C(=C1)CBr)C(=O)N

InChI

InChI=1S/C8H8BrNO/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2,(H2,10,11)

InChIKey

CENMZLRJUVTBFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 872414-52-3

CID: 57486653

Formula: C8H8BrNO

MW: 214.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.06
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	212.97893
Monoisotopic Mass	212.97893
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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