AG003FV5

643-43-6 | 2，4-Dinitrophenylacetic Acid

AG003FV5

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CAS Number	643-43-6
Catalog Number	AG003FV5(AGN-PC-0JNAX9)
Chemical Name	2，4-Dinitrophenylacetic Acid
EC Number	211-398-2
IUPAC Name	2-(2,4-dinitrophenyl)acetic acid
InChI	InChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)
InChI Key	KCNISYPADDTFDO-UHFFFAOYSA-N
MDL Number	MFCD00007227
Molecular Formula	C8H6N2O6
Molecular Weight	226.1430
NSC Number	6225
SMILES	[N+](=O)([O-])C1=C(C=CC(=C1)[N+](=O)[O-])CC(=O)O
Synonyms	2,4-dinitrophenylacetate, 2,4-dinitrophenylacetic acid, 2,4-dinitrophenylacetic acid, potassium salt, 2,4-Dinitrophenylacetic acid, 643-43-6, 2-(2,4-dinitrophenyl)acetic acid, (2,4-Dinitrophenyl)acetic acid, NSC6225, Benzeneacetic acid, 2,4-dinitro-, NSC-6225, MFCD00007227, ACMC-209nlg, AC1L5ADM, AC1Q5VIW, 2,4-dimtrophenylacetic acid, NCIStruc1_000234, NCIStruc2_000110, 2,4-Dinitrobenzeneacetic acid, Benzeneacetic acid,4-dinitro-, SCHEMBL865986, 2,4-DINITROPHENOXAZINE, Acetic acid,4-dinitrophenyl)-, AC1Q74V0, CHEMBL1741495, CTK5C1109, Benzeneacetic acid,2,4-dinitro-, NCI6225, KCNISYPADDTFDO-UHFFFAOYSA-N, (2,4-dinitro-phenyl)-acetic acid, KS-000048TP, ZINC1693340, ZX-AT004879, 2,4-Dinitrophenylacetic acid, 95%, 2-(2,4-dinitrophenyl)ethanoic acid, 9855AB, ANW-34850, BBL023577, CCG-38136, KM0849, NCGC00013068, OR5974, SBB028551, STK366374, AKOS000119940, AKOS015893972, MCULE-3495261489, NCGC00013068-02, NCGC00096192-01, AJ-30184, AS-49996, CC-07602, NCI60_006597, AB0114880, AX8006002, BC4134507, DB-054646, TC-123595, TL8004553, BB 0218608, D1768, FT-0610201, ST50308304, (2,4-bis(hydroxy(oxido)amino)phenyl)acetic acid, A837723, C-12833, I04-8865, C8H6N2O6, KST-1A7925, 2,4-DINITROPHENYLACETICACID, C8-H6-N2-O6, NSC 6225, EINECS 211-398-2, Acetic acid, (2,4-dinitrophenyl)-, AR-1A1944, CID221513, ACN-052323, BRN 1990798, AI3-01812, 4-09-00-01691 (Beilstein Handbook Reference), 7311-30-0,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.023g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.144g/mol
Monoisotopic Mass	226.023g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	129A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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