AG00ICUH

773873-97-5 | Methyl 3-Chloro-2,6-Difluorobenzoate

AG00ICUH

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CAS Number	773873-97-5
Catalog Number	AG00ICUH
Chemical Name	Methyl 3-Chloro-2,6-Difluorobenzoate
IUPAC Name	methyl 3-chloro-2,6-difluorobenzoate
InChI	InChI=1S/C8H5ClF2O2/c1-13-8(12)6-5(10)3-2-4(9)7(6)11/h2-3H,1H3
InChI Key	IPAUPQAZOVCCSO-UHFFFAOYSA-N
MDL Number	MFCD06203778
Molecular Formula	C8H5ClF2O2
Molecular Weight	206.5739
SMILES	O=C(OC)C1=C(F)C=CC(Cl)=C1F
Synonyms	methyl 3-chloro-2,6-difluorobenzoate, 773873-97-5, 3-Chloro-2,6-difluorobenzoic acid methyl ester, SCHEMBL3521744, IPAUPQAZOVCCSO-UHFFFAOYSA-N, MFCD06203778, ZINC44199583, AKOS017560616, AS-46362, Z-2871,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.995g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.573g/mol
Monoisotopic Mass	205.995g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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