AG005BKD

773874-05-8 | Methyl 3-chloro-2-fluorobenzoate

AG005BKD

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CAS Number	773874-05-8
Catalog Number	AG005BKD(AGN-PC-04RZFA)
Chemical Name	Methyl 3-chloro-2-fluorobenzoate
IUPAC Name	methyl 3-chloro-2-fluorobenzoate
InChI	InChI=1S/C8H6ClFO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
InChI Key	WBTHSEQMJLZATD-UHFFFAOYSA-N
MDL Number	MFCD06203787
Molecular Formula	C8H6ClFO2
Molecular Weight	188.5834
SMILES	COC(=O)C1=C(F)C(Cl)=CC=C1
Synonyms	Methyl 3-chloro-2-fluorobenzoate, 773874-05-8, ACMC-209p9r, SCHEMBL18555858, CTK8B2308, DTXSID10647506, WBTHSEQMJLZATD-UHFFFAOYSA-N, ANW-37021, MFCD06203787, ZINC21300184, AKOS006294241, AJ-78310, CJ-16882, AB0058619, TC-125766, TL8005313, 3-Chloro-2-fluorobenzoic acid, methyl ester, FT-0717141, V7719, 3-chloro-2-fluoro-benzoic acid, methyl ester, A-3055, I01-11540, C8H6ClFO2, Methyl3-chloro-2-fluorobenzoate, 3-CHLORO-2-FLUOROBENZOICACIDMETHYLESTER,

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	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number