AG004RR1

85070-58-2 | Methyl 2-fluoro-4-formylbenzoate

AG004RR1

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CAS Number	85070-58-2
Catalog Number	AG004RR1(AGN-PC-0AC0W8)
Chemical Name	Methyl 2-fluoro-4-formylbenzoate
IUPAC Name	methyl 2-fluoro-4-formylbenzoate
InChI	InChI=1S/C9H7FO3/c1-13-9(12)7-3-2-6(5-11)4-8(7)10/h2-5H,1H3
InChI Key	CFMGPKZYEUOERS-UHFFFAOYSA-N
MDL Number	MFCD20231454
Molecular Formula	C9H7FO3
Molecular Weight	182.1485
SMILES	O=C(OC)C1=CC=C(C=O)C=C1F
Synonyms	Methyl 2-fluoro-4-formylbenzoate, 85070-58-2, Benzoic acid, 2-fluoro-4-formyl-, methyl ester, ACMC-209q3v, SCHEMBL1498919, CTK8B2443, KS-00000PYI, DTXSID60716514, CFMGPKZYEUOERS-UHFFFAOYSA-N, methyl 2-fluoro-4-formyl-benzoate, ANW-38105, CL9183, MFCD20231454, ZINC74937744, AKOS015888708, AM83264, CS-W006141, DS-1928, MP-1998, AK-90622, CJ-21756, AJ-121436, TC-126850, 4CH-011690, ST24025237, Z5186, I01-11635, C9H7FO3, Methyl2-fluoro-4-formylbenzoate,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.15g/mol
Monoisotopic Mass	182.038g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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