AG002AVN

197520-71-1 | Benzoic acid, 2,3,4-trifluoro-5-nitro-

AG002AVN

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CAS Number	197520-71-1
Catalog Number	AG002AVN(AGN-PC-0NL27J)
Chemical Name	Benzoic acid, 2,3,4-trifluoro-5-nitro-
IUPAC Name	2,3,4-trifluoro-5-nitrobenzoic acid
InChI	InChI=1S/C7H2F3NO4/c8-4-2(7(12)13)1-3(11(14)15)5(9)6(4)10/h1H,(H,12,13)
InChI Key	BCMIOBTWFPSPJJ-UHFFFAOYSA-N
MDL Number	MFCD09753762
Molecular Formula	C7H2F3NO4
Molecular Weight	221.0903
SMILES	O=C(O)C1=CC([N+]([O-])=O)=C(F)C(F)=C1F
Synonyms	197520-71-1, 2,3,4-TRIFLUORO-5-NITROBENZOIC ACID, 5-Nitro-2,3,4-trifluorobenzoic acid, 2,3,4-Trifluoro-5-nitro-benzoic acid, Benzoic acid, 2,3,4-trifluoro-5-nitro-, AK-82431, Benzoicacid, 2,3,4-trifluoro-5-nitro-, SCHEMBL1039209, CTK0G9352, DTXSID00579029, BCMIOBTWFPSPJJ-UHFFFAOYSA-N, ACT14309, CS-M0255, ZX-AP010007, ANW-46699, MFCD09753762, PC8688, SBB096084, ZINC16159648, AKOS015893055, AM61390, AN-2277, CM12857, LB-0607, MCULE-2037122009, VZ22102, 2,3,4-Trifluoro-5-nitro benzoic acid, TRA-0203951, ACM197520711, AJ-68721, BC221920, SY005294, AB0023182, AX8161176, DB-013953, TC-135444, FT-0701481, ST24027258, W4187, A20436, A20438, K-5787, MFCD09753762 (97+%), 520T711, I04-1422, C7H2F3NO4, 2,4,5-Trifluoro-3-nitrobenzoic acid, 2,4,5-Trifluoro-3-nitro-benzoic acid, 115549-15-0,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.994g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.091g/mol
Monoisotopic Mass	220.994g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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