AG0037M1

550363-85-4 | 2-Fluoro-5-formylbenzoic acid

AG0037M1

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CAS Number	550363-85-4
Catalog Number	AG0037M1(AGN-PC-01XFXJ)
Chemical Name	2-Fluoro-5-formylbenzoic acid
IUPAC Name	2-fluoro-5-formylbenzoic acid
InChI	InChI=1S/C8H5FO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4H,(H,11,12)
InChI Key	XZUFXXPSLGVLFC-UHFFFAOYSA-N
MDL Number	MFCD04972875
Molecular Formula	C8H5FO3
Molecular Weight	168.1219
SMILES	O=C(O)C1=CC(C=O)=CC=C1F
Synonyms	2-fluoro-5-formylbenzoic acid, 550363-85-4, 2-fluoro-5-formyl-benzoic acid, fluoroformylbenzoicacid, SCHEMBL1715824, 2-fluoro-5-formyl benzoic acid, CTK5A2935, DTXSID60594692, XZUFXXPSLGVLFC-UHFFFAOYSA-N, Benzoic acid, 2-fluoro-5-formyl-, CS-M3441, ZINC2540323, ANW-47872, GEO-03744, MFCD04972875, SBB052706, 2-fluoranyl-5-methanoyl-benzoic acid, AKOS005145569, AC-9350, AN-7085, CF-0744, RP10419, RTR-019419, AJ-39062, AM804035, BR-49893, EN002322, SC-88204, 2-fluoro-5-formylbenzoic acid, AldrichCPR, AB0025443, DB-071935, ST2416901, TR-019419, FT-0683024, W6909, S-5023, A830447, I01-8116, J-509439, C8H5FO3, 2-FLUORO-5-FORMYLBENZOICACID95,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.123g/mol
Monoisotopic Mass	168.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number