AG003J80

403-16-7 | 3-Chloro-4-Fluorobenzoic Acid

AG003J80

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CAS Number	403-16-7
Catalog Number	AG003J80(AGN-PC-0JS9S8)
Chemical Name	3-Chloro-4-Fluorobenzoic Acid
IUPAC Name	3-chloro-4-fluorobenzoic acid
InChI	InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChI Key	PKTSBFXIHLYGEY-UHFFFAOYSA-N
MDL Number	MFCD00042477
Molecular Formula	C7H4ClFO2
Molecular Weight	174.5569
SMILES	O=C(O)C1=CC=C(F)C(Cl)=C1
Synonyms	3-Chloro-4-fluorobenzoic acid, 403-16-7, 4-Fluoro-3-chlorobenzoic acid, 3-chloro-4-fluoro-benzoic acid, Benzoic acid, 3-chloro-4-fluoro-, 4-fluoro-3-chlorobenzoyl acid, MFCD00042477, 3-Chloro-4-Fluorobenzoicacid, PKTSBFXIHLYGEY-UHFFFAOYSA-N, 4-FLUORO-3-CHLORO BENZOYL ACID, 403-16-7 3-chloro-4-fluorobenzoic acid, PubChem1334, ACMC-209jcy, AC1LAUZ2, AC1Q72ZB, 3-chloro4-fluorobenzoic acid, KSC238E6H, SCHEMBL109599, Jsp006973, RARECHEM AL BO 0274, 3 -chloro-4-fluorobenzoic acid, CTK1D8263, KS-00000CGC, TIMTEC-BB SBB003796, DTXSID70334521, Benzoicacid, 3-chloro-4-fluoro-, ZERENEX E/7111070, ZINC152712, ACT07943, JRD-0326, ANW-29360, BBL010021, SBB003796, STK711119, WT1635, WT2082, 3-Chloro-4-fluorobenzoic acid, 95%, AKOS000109351, AC-3930, AM61515, AS00963, BS-3948, CM12575, CS-W018495, MCULE-7334939893, PF10901, RTC-062269, TRA0033406, VZ26614, NCGC00337066-01, AJ-12792, AK-53849, AN-12483, BC227458, BR-53849, SC-04288, SY005155, AB0011838, AB1006251, DB-031118, ST2410617, TC-062269, TL8002929, BB 0244801, FT-0085015, FT-0615386, ST50405268, MFCD00042477 (98%), M-4082, AB01330484-02, I01-1375, I01-9156, F0001-1140, InChI=1/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11, null, C7H4ClFO2, cc-274, c1275, CID520989, ACN-056552, 3-Chloro-4-fluorobenzoic acid, 95% - 25G 25g,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.988g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.555g/mol
Monoisotopic Mass	173.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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