AG0077YM

118-97-8 | BENZOICACID, 4-CHLORO-3,5-DINITRO-

AG0077YM

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CAS Number	118-97-8
Catalog Number	AG0077YM(AGN-PC-0JK8IN)
Chemical Name	BENZOICACID, 4-CHLORO-3,5-DINITRO-
EC Number	204-290-1
IUPAC Name	4-chloro-3,5-dinitrobenzoic acid
InChI	InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)
InChI Key	PCTFIHOVQYYAMH-UHFFFAOYSA-N
MDL Number	MFCD00007080
Molecular Formula	C7H3ClN2O6
Molecular Weight	246.5615
NSC Number	76583
SMILES	C1=C(C(O)=O)C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-]
Synonyms	4-chloro-3,5-dinitrobenzoate, 118-97-8, 4-CHLORO-3,5-DINITROBENZOIC ACID, 3,5-Dinitro-4-chlorobenzoic acid, Benzoic acid, 4-chloro-3,5-dinitro-, 4-Chloro-3,5-dinitrobenzoate, EINECS 204-290-1, NSC 76583, Benzoicacid, 4-chloro-3,5-dinitro-, PCTFIHOVQYYAMH-UHFFFAOYSA-N, 4-chloro-3,5-dinitro-benzoic acid, MFCD00007080, W-108528, NSC76583, PubChem22980, AC1L1QVE, AC1Q5AIX, ACMC-1BT9J, KSC180K5T, SCHEMBL3146159, DTXSID2059481, CTK0I0559, KS-00000YXM, TIMTEC-BB SBB003176, 4-Chloro-3,5-dinitrobenzoicacid, 3,5-dinitro-4-chloro-benzoic acid, ACT08110, AKOS 212-81, ZERO/005300, ZINC1707954, ZX-AT007877, ANW-17259, LABOTEST-BB LT00117948, NSC-76583, SBB003176, STK400545, AKOS000276884, 4-Chloro-3,5-dinitrobenzenecarboxylate, AS00838, GS-3177, MCULE-1701868879, OR18359, RP17580, RTR-003213, 4-Chloro-3,5-dinitrobenzoic acid, 97%, AC-10262, AJ-30699, AK-32955, AN-43289, BR-32955, CC-13682, 3,5-DINITRO-4-CHLORO BENZOIC ACID, AX8010200, LS-185196, ST4119534, TR-003213, AM20050210, FT-0618057, ST24032547, M-6396, C-15037, I01-2727, InChI=1/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12, C7H3ClN2O6, Benzoic acid,5-dinitro-, C7-H3-Cl-N2-O6, 3,5-Dinitro-4-chlorobenzoicacid, CID8377, AR-1G1621, c0607, 4-Chloro-3,5-dinitrobenzoic acid, 99% - 100G 100g, 12007-27-1,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.968g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.559g/mol
Monoisotopic Mass	245.968g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	129A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number