2-Nitroterephthalaldehyde

CAT: 0127-OR1069181-02Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1069181-02Size:100 mg

Selected

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

Quick Request Actions

CAS Number

39909-72-3

MDL Number

MFCD01110302

Purity

97%

Smiles

O=CC1=CC=C(C=O)C=C1[N+]([O-])=O

Chemical Information

2-Nitroterephthalaldehyde

CAS Number	39909-72-3
PubChem CID	2749801
IUPAC Name	2-nitroterephthalaldehyde
Molecular Formula	C8H5NO4
Molecular Weight	179.13
XLogP	0.7
Topological Polar Surface Area	80
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	223

SMILES

C1=CC(=C(C=C1C=O)[N+](=O)[O-])C=O

InChI

InChI=1S/C8H5NO4/c10-4-6-1-2-7(5-11)8(3-6)9(12)13/h1-5H

InChIKey

XKJZDFJGFMPBBG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39909-72-3

CID: 2749801

Formula: C8H5NO4

MW: 179.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.13
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	179.02185764
Monoisotopic Mass	179.02185764
Topological Polar Surface Area	80 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	223
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
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC500831	2- (2,2,2-Trifluoroethoxy) benzaldehyde
PC50095	2- (2,2,2-Trifluoroethyl) naphthalene
PC4974	2,2,2-Trichloroethyl-2-fluoroacrylate
PC500825	2- (2,2,2-Trifluoroethoxy) iodobenzene
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate

Catalog	Name
FN133686-01	2-Nitroterephthalaldehyde
H 038-005	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
MBS6106553-01	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-50MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
D443501	Diethyl-2,2,2,2',2',2'-d6-amine HCl
022261	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
AR-B06674-01	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) Benzoate
BLG-H038-005	2′,2”,2”’,2””,2””’,2”””-Hexa-F-c-hexadAMP
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate