Methyl (2-iodophenyl) glycinate

CAT: 0127-OR1036179-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1036179-01Size:50 mg

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CAS Number

474000-97-0

Purity

97%

Smiles

O=C(OC)CNC1=CC=CC=C1I

Chemical Information

Methyl (2-iodophenyl)glycinate

CAS Number	474000-97-0
PubChem CID	28876801
IUPAC Name	methyl 2-(2-iodoanilino)acetate
Molecular Formula	C9H10INO2
Molecular Weight	291.09
XLogP	2.5
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	175

SMILES

COC(=O)CNC1=CC=CC=C1I

InChI

InChI=1S/C9H10INO2/c1-13-9(12)6-11-8-5-3-2-4-7(8)10/h2-5,11H,6H2,1H3

InChIKey

RJWVSCFOGJIYFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 474000-97-0

CID: 28876801

Formula: C9H10INO2

MW: 291.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.09
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	290.97563
Monoisotopic Mass	290.97563
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	175
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

Catalog	Name
OR90864-01	Methyl 2- (2-iodophenyl) acetate
OR1065977-01	Methyl (2- (methylthio) ethyl) glycinate
OR1052536-01	Methyl (thiophen-2-ylmethyl) glycinate
OR90150-01	Methyl 2- (4-iodophenyl) acetate
OR96692-01	Methyl 2- (3-iodophenyl) acetate
OR1100636	(2-Chloro-4-iodophenyl) (methyl) sulfane
OR1095941-01	(4-Bromo-2-iodophenyl) (methyl) sulfane
PC1013479-01	(2-Fluoro-6-iodophenyl) (methyl) sulfane
PC1013457-01	(3-fluoro-2-iodophenyl) (methyl) sulfane
PC1011856-01	(2-Fluoro-3-iodophenyl) (methyl) sulfane

Catalog	Name
FM127238-01	Methyl N- (2-methylbenzoyl) glycinate
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TRC-M834598-500MG	Methyl N-[(2-Pyrrolyl)carbonyl]glycinate
sc-263522A	Methyl 2-cyclopentyl-L-glycinate HCl
sc-269565	Methyl D-2- (4-fluorophenyl) glycinate HCl
TRC-M315505-50MG	Methyl Dl-2-(1-Boc-Piperidin-4-Yl)-Beta-Glycinate
TRC-M315505-100MG	Methyl Dl-2-(1-Boc-Piperidin-4-Yl)-b-Glycinate
MPA70357-01	Methyl DL-2- (1-Boc-piperidin-4-yl) -beta-glycinate
TMIR-0005-01	Methyl glycinate-d2
RCA37075	Methyl 2- (2-iodophenyl) acetate