4-Nitrophenyl bromoacetate

CAT: 0024-sc-267702Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-267702Size:10 g

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CAS Number

19199-82-7

Chemical Information

Acetic acid, 2-bromo-, 4-nitrophenyl ester

structure given in first source

CAS Number	19199-82-7
PubChem CID	100667
IUPAC Name	(4-nitrophenyl) 2-bromoacetate
Molecular Formula	C8H6BrNO4
Molecular Weight	260.04
XLogP	2.3
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)CBr

InChI

InChI=1S/C8H6BrNO4/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2

InChIKey

HVNXGOPARVAZNX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19199-82-7

CID: 100667

Formula: C8H6BrNO4

MW: 260.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.04
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	258.94802
Monoisotopic Mass	258.94802
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
sc-226759	4-Nitrobenzyl bromoacetate
sc-235416	Isopropyl bromoacetate
sc-250365	Methyl bromoacetate
sc-229603	Trimethylsilyl bromoacetate
sc-239316	Benzyl bromoacetate
sc-236358	Phenyl bromoacetate
sc-272479	Sodium bromoacetate
sc-269888	N-Propyl bromoacetate
sc-212278	N-Succinimidyl Bromoacetate
sc-253634A	Tert-Butyl bromoacetate

Catalog	Name
OR42285-01	4-Nitrophenyl bromoacetate
OR1011626-01	4-Nitrobenzyl Bromoacetate
431250-01	4-Bromobutyl 2-bromoacetate
230068-01	2-Butene-1,4-diyl bis (bromoacetate)
SCA63854-01	Butane-1,4-diyl bis (2-bromoacetate)
OR27089	[3- (2,6-Dichlorophenyl) -5-methylisoxazol-4-yl]methyl 2-bromoacetate
275739-01	Ethyl bromoacetate
163215	Cumyl Bromoacetate
FI57980-01	Isopropyl bromoacetate
TRC-I780125-500MG	Isobutyl Bromoacetate