4-Nitrobenzyl Acetate

CAT: 0024-sc-396800Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-396800Size:25 g

Selected

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

Quick Request Actions

CAS Number

619-90-9

Chemical Information

Benzenemethanol, 4-nitro-, 1-acetate

CAS Number	619-90-9
PubChem CID	12094
IUPAC Name	(4-nitrophenyl)methyl acetate
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	1.7
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	215

SMILES

CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3

InChIKey

QNXQLPUEZYZYFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 619-90-9

CID: 12094

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215
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
RG-N092019-01	4-Nitrobenzyl Acetate
OR1035806-01	Methyl 2- ((2-bromo-6-nitrobenzyl) oxy) acetate
FB155652-01	4-Bromobutyl acetate
XGA46838-01	4-Azidobutyl acetate
BAA59212-01	4-Vinylbenzyl acetate
FA67057-01	4-Acetamidobenzyl acetate
T8748-01	Exendin-4 acetate
269950-01	4-Chlorobutyl acetate
B2106-5	Extendin-4 (acetate)
M337788	4-Methylumbelliferyl Acetate