4-Nitrophenyl Iodoacetate

CAT: 0127-OR1027494-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1027494-01Size:100 mg

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CAS Number

31252-85-4

Synonyms

(4-nitrophenyl) 2-iodoacetate

Purity

99%

Smiles

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CI

Chemical Information

p-Nitrophenyl iodoacetate

structure given in first source

CAS Number	31252-85-4
PubChem CID	160197
IUPAC Name	(4-nitrophenyl) 2-iodoacetate
Molecular Formula	C8H6INO4
Molecular Weight	307.04
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	14
Formal Charge	0
Complexity	220

SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CI

InChI

InChI=1S/C8H6INO4/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2

InChIKey

GERXSZLDSOPHJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31252-85-4

CID: 160197

Formula: C8H6INO4

MW: 307.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	307.04
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	306.93416
Monoisotopic Mass	306.93416
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	220
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
IN2361-01	Lithium iodoacetate
OR1014965-01	Sodium 2-Iodoacetate
BICL214-01	N-Hydroxysuccinimidyl iodoacetate
OR1035777-01	Methyl 2-iodoacetate
OR471032-01	Tert-Butyl 2-Iodoacetate
OR1038127-01	(3-Nitrophenyl) (4-nitrophenyl) methanone
OR1047007-01	4-Nitrophenyl (E) -3- (4-nitrophenyl) acrylate
OR1065678-01	4- (4-Nitrophenyl) pyridine
OR15358-01	4- (4-Nitrophenyl) piperidine
OR1051595	4-Nitrophenyl 4-guanidinobenzoate

Catalog	Name
284984-01	4-Nitrophenyl iodoacetate
TRC-N503775-5G	p-Nitrophenyl Iodoacetate
abx085234-01	Iodoacetate-PEG-Iodoacetate
GTR19234626-01	Sodium Iodoacetate
E11550-01	Ethyl iodoacetate
sc-250260	Lithium iodoacetate
455929-01	Methyl Iodoacetate
21810010-1	NHS Iodoacetate
FS27902-01	N-Succinimidyl iodoacetate
166726	Tert-Butyl Iodoacetate