AG002QP3

2516-95-2 | Benzoic acid, 5-chloro-2-nitro-

AG002QP3

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CAS Number	2516-95-2
Catalog Number	AG002QP3(AGN-PC-0JKDDL)
Chemical Name	Benzoic acid, 5-chloro-2-nitro-
EC Number	219-738-1
IUPAC Name	5-chloro-2-nitrobenzoic acid
InChI	InChI=1S/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key	ZKUYSJHXBFFGPU-UHFFFAOYSA-N
MDL Number	MFCD00007290
Molecular Formula	C7H4ClNO4
Molecular Weight	201.5640
NSC Number	59735
SMILES	C1=C(C(=CC=C1Cl)[N+]([O-])=O)C(=O)O
Synonyms	5-CHLORO-2-NITROBENZOIC ACID, 2516-95-2, Benzoic acid, 5-chloro-2-nitro-, 2-nitro-5-chlorobenzoic acid, MFCD00007290, 3-chloro-6-nitrobenzoic acid, 5-chloro-2-nitro-benzoic acid, ZKUYSJHXBFFGPU-UHFFFAOYSA-N, 5-Chloro-2-nitrobenzoic acid, 99%, NSC59735, EINECS 219-738-1, NSC 59735, PubChem4586, ACMC-209ghs, rarechem al bo 1106, timtec-bb sbb009922, 2-Nitro-5-chlorobenzoate, 5-chloro-2-nitro-benzoicaci, 5-chloro-2-nitrobenzic acid, SCHEMBL79163, KSC201S4H, 6-Nitro-3-chlorobenzoic acid, 5-chloro-2-nitro benzoic acid, AC1L29P8, AC1Q722X, Jsp005003, DTXSID4062484, CTK1A1943, ACT12192, STR03120, ZINC1689765, ANW-25646, BBL008736, NSC-59735, RW1863, SBB009922, STK498190, AKOS000120499, AC-6119, CS-W015544, LS11576, MCULE-7767195023, PS-3236, RL02829, RTC-061440, TRA0083454, KS-0000014M, AJ-29998, AK-73067, BR-73067, SC-02887, ST060491, ST2418727, TC-061440, AM20050232, FT-0602345, TL80074060, A20236, M-6180, 516C952, I01-0355, F2191-0176, 5-chloro-2-nitrobenzoic acid 2-nitro-5-chlorobenzoic acid, 5-chloro-2-nitro-benzoicaci;Benzoic acid, 5-chloro-2-nitro-, InChI=1/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11, C7H4ClNO4, 5-Chloro-2-nitrobenzoicacid, C7-H4-Cl-N-O4, CID17286, c0224, ACN-040292, AN-1002, C-5220, 5-Chloro-2-nitrobenzoic acid, 98% - 100G 100g,

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	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H318-H335-H410
Packing Group	Ⅲ
Precautionary statements	P261-P273-P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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