AG003LI7

616-82-0 | Benzoic acid, 4-​hydroxy-​3-​nitro-

AG003LI7

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CAS Number	616-82-0
Catalog Number	AG003LI7(AGN-PC-0JKADI)
Chemical Name	Benzoic acid, 4-​hydroxy-​3-​nitro-
EC Number	210-494-1
IUPAC Name	4-hydroxy-3-nitrobenzoic acid
InChI	InChI=1S/C7H5NO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)
InChI Key	QRYSWXFQLFLJTC-UHFFFAOYSA-N
MDL Number	MFCD00007119
Molecular Formula	C7H5NO5
Molecular Weight	183.1183
NSC Number	78436
SMILES	N(=O)(=O)c1cc(C(=O)O)ccc1O
Synonyms	4-HYDROXY-3-NITROBENZOIC ACID, 616-82-0, 3-Nitro-4-hydroxybenzoic acid, Benzoic acid, 4-hydroxy-3-nitro-, 3-Nitro-4-hydrobenzoic acid, 4-hydroxy-3-nitro-benzoic acid, QRYSWXFQLFLJTC-UHFFFAOYSA-N, MFCD00007119, NHB, NSC78436, EINECS 210-494-1, NSC 78436, PubChem18981, ACMC-1AUQV, AC1L1YP3, AC1Q72SL, 3,4-Nitrohydroxybenzoic acid, KSC489Q0P, SCHEMBL106249, BEN284, RARECHEM AL BO 1164, CTK3I9807, KS-00000JJZ, QRYSWXFQLFLJTC-UHFFFAOYSA-, TIMTEC-BB SBB028502, TOS-BB-0113, DTXSID20210609, ATTERCOP-CHM AT114395, OTAVA-BB 1392630, ZINC156013, ANW-33912, LABOTEST-BB LT00452849, NSC-78436, SBB028502, STL197510, 4-Hydroxy-3-nitrobenzoic acid, 98%, AKOS003382446, AS00841, CS-W017067, MCULE-5156853739, RP00838, RTR-037298, TRA0021721, AC-10247, AJ-90590, AK-44029, AN-46607, AS-12419, BR-44029, AB0011899, AB1008191, DB-053964, TL8003926, TR-037298, AM20040866, FT-0618646, ST24032804, ST45024165, EN300-53840, M-2557, Benzoic acid, 4-hydroxy-3-nitro- (8CI)(9CI), 616H820, I01-6559, Q-200478, Z815264150, InChI=1/C7H5NO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11), null, 4-Hydroxy-3-nitrobenzoicacid, C7H5NO5, C7-H5-N-O5, CID12033, 4-HYDROXY-3-METHOXYACETOPHENONE, H0910, 4-Hydroxy-3-nitrobenzoic acid, 98% - 100G 100g,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.017g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	183.119g/mol
Monoisotopic Mass	183.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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