AG003JT6

121-92-6 | 3-Nitrobenzoic Acid

AG003JT6

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CAS Number	121-92-6
Catalog Number	AG003JT6(AGN-PC-0JK8KX)
Chemical Name	3-Nitrobenzoic Acid
EC Number	204-508-5
IUPAC Name	3-nitrobenzoic acid
InChI	InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
InChI Key	AFPHTEQTJZKQAQ-UHFFFAOYSA-N
MDL Number	MFCD00007251
Molecular Formula	C7H5NO4
Molecular Weight	167.1189
NSC Number	9801
SMILES	O=C(O)C1=CC=CC([N+]([O-])=O)=C1
UNII	H318ZW7612
Synonyms	3-nitrobenzoic acid, 3-nitrobenzoic acid, sodium salt, meta-nitrobenzoate, 3-NITROBENZOIC ACID, 121-92-6, m-Nitrobenzoic acid, Benzoic acid, 3-nitro-, Benzoic acid, m-nitro-, meta-Nitrobenzoic acid, Metanitrobenzoic acid, m-Nitrobenzenecarboxylic acid, 3-Nitro-benzoic acid, MFCD00007251, CCRIS 2335, UNII-H318ZW7612, HSDB 6028, NSC 9801, EINECS 204-508-5, BRN 0908644, AI3-09015, NITROBENZOIC(3-) ACID, CHEMBL274839, RARECHEM AL BO 0229, AFPHTEQTJZKQAQ-UHFFFAOYSA-N, LABOTEST-BB LT00795102, H318ZW7612, DSSTox_CID_5737, 3-Nitrobenzoic acid, 98%, DSSTox_RID_77899, DSSTox_GSID_25737, CAS-121-92-6, 3-nitrodracylic acid, m-nitro benzoic acid, 3-nitro benzoic acid, Meta Nitro Benzoic Acid, AC1Q5AGE, WLN: WNR CVQ, 1-carboxy-3-nitrobenzene, ACMC-1BP0R, (alphaS,betaR)-Bedaquiline, AC1L1R4G, AC1Q73ID, 3-nitrophenyl methanoic acid, KSC179Q8F, SCHEMBL132618, DTXSID0025737, SCHEMBL17347335, CTK0H9882, KS-00000KAO, NSC9801, ATTERCOP-CHM AT114441, ZINC156875, BCP08709, NSC-9801, STR01384, Tox21_201238, Tox21_303250, ANW-17922, BDBM50405311, LABOTEST-BB LT03331364, LS-659, SBB058220, STK301724, 3-Nitrobenzoic acid, puriss., 99%, AKOS000119012, AC-2834, AN-6848, AS00837, CS-W020596, MCULE-6150173112, NE10477, PS-5143, RP17414, RTR-003549, TRA0174591, NCGC00091521-01, NCGC00091521-02, NCGC00091521-03, NCGC00257168-01, NCGC00258790-01, AJ-13900, AK-77247, SC-26829, AB1002146, ST2417822, TR-003549, 3-Nitrobenzoic acid, ReagentPlus(R), 99%, FT-0616240, N0154, ST45061531, BENZOIC ACID,3-NITRO MFC7 H5 N1 O4, 3-Nitrobenzoic acid, purum, >=98.0% (HPLC), 3-Nitrobenzoic acid, Vetec(TM) reagent grade, 98%, I01-1722, I01-6336, W-108445, F2191-0133, InChI=1/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10, M-NITROBENZOIC ACID (SEE ALSO: M-NITROBENZOYL CHLORIDE(CAS 121-90-4)), null, 3-nitrobenzoate, Nitrobenzoic acid, Acide m-nitrobenzoique, Benzoic acid, nitro-, Acide nitro-3-benzoique, C7H5NO4, CID8497, C7-H5-N-O4, AR-1F4650, 3-Nitrobenzoic acid, 99% - 100G 100g, 4-27-00-07875 (Beilstein Handbook Reference), 3-Nitrobenzoic Acid 98% for synthesis 100gm, 27178-83-2, 877-67-8,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.12g/mol
Monoisotopic Mass	167.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335-H412
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number