AG002QP2

2516-96-3 | Benzoic acid, 2-chloro-5-nitro-

AG002QP2

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CAS Number	2516-96-3
Catalog Number	AG002QP2(AGN-PC-0JKDDM)
Chemical Name	Benzoic acid, 2-chloro-5-nitro-
EC Number	219-739-7
IUPAC Name	2-chloro-5-nitrobenzoic acid
InChI	InChI=1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key	QUEKGYQTRJVEQC-UHFFFAOYSA-N
MDL Number	MFCD00007294
Molecular Formula	C7H4ClNO4
Molecular Weight	201.5640
NSC Number	8441
SMILES	C(=O)(O)c1cc(N(=O)=O)ccc1Cl
Synonyms	2-chloro-5-nitrobenzoic acid, 2-CHLORO-5-NITROBENZOIC ACID, 2516-96-3, Benzoic acid, 2-chloro-5-nitro-, 6-Chloro-3-nitrobenzoic acid, 2-Chloro-5-nitrobenzoicacid, 2-chloro-5-nitro-benzoic acid, MFCD00007294, QUEKGYQTRJVEQC-UHFFFAOYSA-N, 2-Chloro-5-nitrobenzoic acid, 99+%, NSC8441, NSC 8441, EINECS 219-739-7, Mesalamine Impurity M, PubChem13682, AI3-16578, ACMC-1CB0I, EC 219-739-7, AC1L29PB, 2-chloro-5-nitrobenzic acid, 5-nitro-2-chlorobenzoic acid, KSC202Q3N, SCHEMBL231222, 2-Chloro-5-nitro benzoic acid, Jsp005004, RARECHEM AL BO 0234, 2-chloro-5-nitrobenzoyl alcohol, CHEMBL2179897, DTXSID9062485, CTK1A2836, TIMTEC-BB SBB028528, ZINC156878, AC1Q7280, ACT00658, NSC-8441, ANW-25647, BBL008923, LABOTEST-BB LT00847209, LABOTEST-BB LT03330854, SBB028528, STK498300, 2-Chloro-5-nitrobenzoic acid, 97%, AKOS000119020, 2-CHLORO,5-NITRO-BENZOIC ACID, AC-2641, AN-6850, AS00839, MCULE-5481289405, RL02830, RP17490, RP21836, RTR-036267, TRA0003854, AJ-13902, BR-49119, SC-26924, AB1002714, DB-014082, ST2409881, TL8002047, TR-036267, AM20050211, CS-0017179, FT-0611830, ST51016015, KS-00000177, M-5984, AF-407/05487047, I01-0662, W-107255, F0850-6796, InChI=1/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11, 2-Chloro-5-nitrobenzoic acid, Pharmaceutical Secondary Standard; Certified Reference Material, null, C7H4ClNO4, Mesalazine EP Impurity M, C7-H4-Cl-N-O4, CID17287, c0877, CS-O-31125, 2-Chloro-5-nitrobenzoic acid, 99% - 100G 100g, 100304-88-9,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.983g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.562g/mol
Monoisotopic Mass	200.983g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

Lot Number