AG00CLSM

327056-75-7 | Methyl 3-chloro-5-fluorobenzoate

AG00CLSM

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CAS Number	327056-75-7
Catalog Number	AG00CLSM(AGN-PC-03I28Z)
Chemical Name	Methyl 3-chloro-5-fluorobenzoate
IUPAC Name	methyl 3-chloro-5-fluorobenzoate
InChI	InChI=1S/C8H6ClFO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChI Key	DOZOMYSFEVYLAU-UHFFFAOYSA-N
MDL Number	MFCD06204128
Molecular Formula	C8H6ClFO2
Molecular Weight	188.5834
SMILES	O=C(OC)C1=CC(F)=CC(Cl)=C1
Synonyms	METHYL 3-CHLORO-5-FLUOROBENZOATE, 327056-75-7, 3-Chloro-5-fluorobenzoic acid methyl ester, ACMC-209huy, SCHEMBL2823344, CTK8B1465, DTXSID20620502, DOZOMYSFEVYLAU-UHFFFAOYSA-N, ANW-27416, MFCD06204128, ZINC44200063, AKOS006295760, AK108179, CJ-20445, SC-42178, AJ-109576, TC-116161, ST24047816, Z0513, Q-7975, Benzoic acid, 3-chloro-5-fluoro-, methyl ester, C8H6ClFO2, Methyl3-chloro-5-fluorobenzoate,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.582g/mol
Monoisotopic Mass	188.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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