AG00DG2A

500579-61-3 | Ethyl 2-fluoro-4-methylbenzoate

AG00DG2A

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CAS Number	500579-61-3
Catalog Number	AG00DG2A
Chemical Name	Ethyl 2-fluoro-4-methylbenzoate
IUPAC Name	ethyl 2-fluoro-4-methylbenzoate
InChI	InChI=1S/C10H11FO2/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h4-6H,3H2,1-2H3
InChI Key	ZWWVHEVIVRTABT-UHFFFAOYSA-N
MDL Number	MFCD06205105
Molecular Formula	C10H11FO2
Molecular Weight	182.1915
NSC Number	137163
SMILES	O=C(OCC)C1=CC=C(C)C=C1F
Synonyms	ethyl 2-fluoro-4-methylbenzoate, 500579-61-3, Ethyl2-fluoro-4-methylbenzoate, RARECHEM AL BI 1305, benzoic acid, 2-fluoro-4-methyl-, ethyl ester, NSC137163, AC1L5XO8, AC1Q64J8, SCHEMBL7222675, CTK4J2024, DTXSID40300475, ZINC1722887, MFCD06205105, AKOS006295509, CM12759, NSC-137163, AS-33135, CS-0059875, AR-1H9140, CID282993, 50567-35-6,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.194g/mol
Monoisotopic Mass	182.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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