AG007876

39608-47-4 | 3-Chloro-4-nitrobenzoic acid

AG007876

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CAS Number	39608-47-4
Catalog Number	AG007876(AGN-PC-0JS9RD)
Chemical Name	3-Chloro-4-nitrobenzoic acid
IUPAC Name	3-chloro-4-nitrobenzoic acid
InChI	InChI=1S/C7H4ClNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
InChI Key	TZPGGFYKIOBMCN-UHFFFAOYSA-N
MDL Number	MFCD01632172
Molecular Formula	C7H4ClNO4
Molecular Weight	201.5640
SMILES	ClC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
Synonyms	3-Chloro-4-nitrobenzoic acid, 39608-47-4, Benzoic acid, 3-chloro-4-nitro-, 3-Chloro-4-nitro-benzoic acid, TZPGGFYKIOBMCN-UHFFFAOYSA-N, zlchem 440, PubChem4581, ACMC-1AIIQ, AC1LAUX6, KSC497M8F, SCHEMBL360051, CTK3J7682, KS-00000JCU, DTXSID30334502, ZLC0299, ACT12190, ZINC2382624, ANW-29126, MFCD01632172, SBB064199, AKOS015848985, AC-8876, AM82921, AN-7563, CS-W021900, GS-3090, MCULE-6717081738, RP25881, RTR-015820, VZ26656, AC-20372, AJ-34884, AK-25910, BR-25910, L515, SC-04172, AB0014747, AB1005686, ST2410626, TR-015820, 4CH-009942, FT-0085019, FT-0639560, A20232, B-3099, 82761-EP2298758A1, 82761-EP2298759A1, 82761-EP2305664A1, 608C474, Q-200502, Z1741974639, null, 4-METHYLPYRIDINE, C7H4ClNO4, 3-Chloro-4-nitrobenzoicacid, Benzoic acid, 4-chloro-3-nitro-, CID520953, 96-99-1,

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

Certificate of Analysis

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