AG00IANV

602-94-8 | Benzoic acid, pentafluoro-

AG00IANV

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CAS Number	602-94-8
Catalog Number	AG00IANV(AGN-PC-0JKA7K)
Chemical Name	Benzoic acid, pentafluoro-
EC Number	210-026-6
IUPAC Name	2,3,4,5,6-pentafluorobenzoic acid
InChI	InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChI Key	YZERDTREOUSUHF-UHFFFAOYSA-N
MDL Number	MFCD00002406
Molecular Formula	C7HF5O2
Molecular Weight	212.0737
NSC Number	88337
SMILES	C(=O)(O)c1c(F)c(F)c(c(c1F)F)F
Synonyms	pentafluorobenzoate, pentafluorobenzoic acid, pentafluorobenzoic acid, sodium salt, Pentafluorobenzoic acid, 2,3,4,5,6-Pentafluorobenzoic acid, 602-94-8, Perfluorobenzoic acid, BENZOIC ACID, PENTAFLUORO-, EINECS 210-026-6, MFCD00002406, NSC 88337, BRN 2054395, CHEBI:46796, YZERDTREOUSUHF-UHFFFAOYSA-N, Benzoic acid, 2,3,4,5,6-pentafluoro-, Pentafluorobenzoic acid, 99%, C7HF5O2, 2,3,4,5,6-Pentafluorobenzoicacid, PubChem2320, ACMC-1B1WZ, AC1L1Y3C, NCIOpen2_005348, 4-09-00-00956 (Beilstein Handbook Reference), KSC355E3B, SCHEMBL203915, RARECHEM AL BO 0017, CHEMBL3092378, DTXSID4060527, CTK2F5230, KS-00000JJE, YZERDTREOUSUHF-UHFFFAOYSA-, NSC88337, ZINC2022417, ANW-33464, NSC-88337, SBB064154, 2,3,4,5,6-pentafluoro benzoic acid, 2,3,4,5,6-pentafluoro-benzoic acid, AKOS000119713, AC-4654, AS00961, CM12864, MCULE-4301763471, RTR-020838, AJ-32782, AK-96393, AN-11737, AS-11945, LS-38107, SC-05642, TL8003818, TR-020838, 2,3,4,5,6-Pentafluorobenzoic acid, 99%, CS-0030580, FT-0609327, P0806, ST24021450, ST50307987, 02P948, Z-0063, W-105266, Z1270504297, InChI=1/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14), Pentafluorobenzoic acid 1kg, C7-H-F5-O2, CID11770, P107, A8421, 2,3,4,5,6-Pentafluorobenzoic acid, 99% - 100G 100g,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.99g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.075g/mol
Monoisotopic Mass	211.99g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number