AG0036F1

845885-90-7 | 4-Fluoro-3-formylbenzoic acid

AG0036F1

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CAS Number	845885-90-7
Catalog Number	AG0036F1(AGN-PC-0KL74V)
Chemical Name	4-Fluoro-3-formylbenzoic acid
IUPAC Name	4-fluoro-3-formylbenzoic acid
InChI	InChI=1S/C8H5FO3/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-4H,(H,11,12)
InChI Key	SKPWEADPCJMLID-UHFFFAOYSA-N
MDL Number	MFCD06411555
Molecular Formula	C8H5FO3
Molecular Weight	168.1219
SMILES	FC1=C(C=C(C(=O)O)C=C1)C=O
Synonyms	4-fluoro-3-formylbenzoic acid, 845885-90-7, 4-fluoro-3-formyl-benzoic Acid, 3-FORMYL-4-FLUOROBENZOIC ACID, AC1MDRYX, KSC495C1B, SCHEMBL1955496, CTK3J5110, DTXSID40383440, SKPWEADPCJMLID-UHFFFAOYSA-N, KS-00000O3Z, ZINC4287726, ANW-48875, CL8087, MFCD06411555, SBB088140, AKOS006229732, AC-9349, AM84188, AN-7113, CS-W005270, AJ-50258, AK-32005, BR-32005, DS-11650, EN002195, SC-69671, AB0026969, DB-004613, RT-002358, ST2411421, 4-fluoro-3-formyl-benzoic acid, AldrichCPR, FT-0646595, W8735, S-5108, 885F907, I01-8124, 4-Fluoro-3-formylbenzoicacid, C8H5FO3, 4-FLUORO-3-FORMYL-BENZOICACID, CID2794818,

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

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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