AG004F7F

87808-48-8 | Methyl 3-fluoro-4-methylbenzoate

AG004F7F

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CAS Number	87808-48-8
Catalog Number	AG004F7F(AGN-PC-023CZR)
Chemical Name	Methyl 3-fluoro-4-methylbenzoate
IUPAC Name	methyl 3-fluoro-4-methylbenzoate
InChI	InChI=1S/C9H9FO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChI Key	RAFFOVQBMRBRCS-UHFFFAOYSA-N
MDL Number	MFCD06203786
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	O=C(OC)C1=CC=C(C)C(F)=C1
Synonyms	Methyl 3-fluoro-4-methylbenzoate, 87808-48-8, Methyl 3-fluoro-4-methyl benzoate, 3-fluoro-4-methylbenzoic acid methyl ester, 3-fluoro-4-methyl-benzoic acid methyl ester, BENZOIC ACID, 3-FLUORO-4-METHYL-, METHYL ESTER, PubChem16655, KSC495M0F, SCHEMBL1495863, CTK3J5602, DTXSID30597014, RAFFOVQBMRBRCS-UHFFFAOYSA-N, ACT14331, KS-00000OC8, CL8553, MFCD06203786, ZINC21300659, methyl 3-fluoranyl-4-methyl-benzoate, AKOS009038875, AB23209, CS-W022829, FS-3123, RTR-027597, AJ-78337, AK-39787, BR-39787, CJ-16891, SY030649, AB0027207, DB-077109, ST2413353, TL8005706, TR-027597, FT-0756729, W9017, MFCD06203786 (95%), S-3893, A842374, RARECHEMALBF0500, C9H9FO2, Methyl3-fluoro-4-methylbenzoate,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.167g/mol
Monoisotopic Mass	168.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H320-H335
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P312-P330
UN Code	UN 1993

Certificate of Analysis

Lot Number