AG003HSG

552-16-9 | 2-Nitrobenzoic Acid

AG003HSG

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CAS Number	552-16-9
Catalog Number	AG003HSG(AGN-PC-0WA714)
Chemical Name	2-Nitrobenzoic Acid
EC Number	209-004-9
IUPAC Name	2-nitrobenzoic acid
InChI	InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChI Key	SLAMLWHELXOEJZ-UHFFFAOYSA-N
MDL Number	MFCD00007137
Molecular Formula	C7H5NO4
Molecular Weight	167.1189
NSC Number	9576
SMILES	O=C(O)C1=CC=CC=C1[N+]([O-])=O
UNII	S6S4653K7Z
Synonyms	2-NITROBENZOIC ACID, 552-16-9, o-Nitrobenzoic acid, Benzoic acid, 2-nitro-, 2-nitrobenzoicacid, o-Carboxynitrobenzene, Benzoic acid, o-nitro-, Nitrobenzoic acid, 2-nitro-benzoic acid, CCRIS 2334, 2-nitro benzoic acid, ortho-nitrobenzoic acid, NSC 9576, EINECS 209-004-9, MFCD00007137, 2-Nitrobenzoic acid, 95%, UNII-S6S4653K7Z, AI3-08821, CHEBI:25620, SLAMLWHELXOEJZ-UHFFFAOYSA-N, S6S4653K7Z, nitro benzoic acid, 2-nitro-benzoicaci, 6-nitro-benzoic acid, PubChem22385, ACMC-1ASVT, DSSTox_CID_5738, AC1L1WL8, DSSTox_RID_77900, DSSTox_GSID_25738, Oprea1_474365, SCHEMBL78205, KSC192O8B, CHEMBL114719, DTXSID5025738, SCHEMBL17461588, CTK0J2780, KS-00000CHO, ZINC80841, NSC9576, AC1Q7239, NSC-9576, Tox21_201020, AC-652, ANW-32262, BBL019769, SBB058380, STL168882, AKOS000119255, AM87062, AS04600, CS-W020072, LS-1360, MCULE-3357987129, MP-2162, RP22974, RTR-019471, TRA0020042, NCGC00091364-01, NCGC00091364-02, NCGC00258573-01, AJ-10527, AK-49895, AN-23662, AS-11055, BC200685, BR-49895, CAS-552-16-9, SC-18492, SY005662, AB1002856, DB-024127, ST2410184, TR-019471, FT-0082641, FT-0650584, N0155, ST50186531, 52N169, BENZOIC ACID,2-NITRO MFC7 H5 N1 O4, C16234, 2-Nitrobenzoic acid, purum, >=97.0% (HPLC), 2-Nitrobenzoic acid, technical, >=85% (HPLC), 31520-EP2270010A1, 31520-EP2308858A1, 31520-EP2311816A1, 31520-EP2311817A1, 92692-EP2277869A1, 92692-EP2277870A1, 92692-EP2305649A1, MFCD00007137 (97+%), AB-131/40245354, 2-Nitrobenzoic acid, Vetec(TM) reagent grade, 94%, I14-6161, Q-200311, Z57160141, 2-Nitrobenzoic acid, 95%, Contains 3- and 4-isomers, F3096-1719, InChI=1/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10, null, o-Nitrobenzoate, 2-Nitrobenzoate, 2-Naphthoic acid, 2-Nitrophenylacetic acid, Benzoic acid, nitro-, Acide o-nitrobenzoique, Acide nitro-o-benzoique, C7H5NO4, Nitrobenzoic acid (o,m, and p), C7-H5-N-O4, CID11087, 2-Nitrobenzoic acid, 98% - 100G 100g, 3740-52-1, 27178-83-2,

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	1.5

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

Lot Number