4-Nitrophenethyl bromide

CAT: 0024-sc-238931ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238931ASize:5 g

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CAS Number

5339-26-4

Chemical Information

4-Nitrophenethyl bromide

CAS Number	5339-26-4
PubChem CID	79266
IUPAC Name	1-(2-bromoethyl)-4-nitrobenzene
Molecular Formula	C8H8BrNO2
Molecular Weight	230.06
XLogP	2.9
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	150

SMILES

C1=CC(=CC=C1CCBr)[N+](=O)[O-]

InChI

InChI=1S/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2

InChIKey

NTURQZFFJDCTMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5339-26-4

CID: 79266

Formula: C8H8BrNO2

MW: 230.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.06
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	228.97384
Monoisotopic Mass	228.97384
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	150
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
sc-226167	3-Nitrophenethyl bromide
sc-225516	2-Nitrophenethyl bromide
sc-238930	4-Nitrophenethyl alcohol
sc-238610	3-Nitrophenethyl alcohol
sc-225515	2-Nitrophenethyl alcohol
sc-287159	1-methyl-N- (4-nitrophenethyl) piperidin-4-amine
sc-287159A	1-methyl-N- (4-nitrophenethyl) piperidin-4-amine
sc-212019	N- (p-Nitrophenethyl) spiperone
sc-478166	P-Nitrophenethyl Methyl Ether
sc-478576	P-Nitrophenethyl alcohol-d4

Catalog	Name
OR8248-01	4-Nitrophenethyl bromide
RAA79904	3-Nitrophenethyl bromide
TRC-B519105-500MG	4,4'-Difluorobenzhydryl Bromide
FN63910-01	4-nitrophenylethyl bromide
433171-01	4-Methylphenethyl Bromide
433022-01	4-Methoxybenzyl Bromide
431855-01	4-Chlorobenzyl bromide
431241-01	4-Bromobenzyl Bromide
266150-01	4-Bromophenacyl bromide
161530	4-Nitrobenzyl Bromide