AG000DG1

1169870-80-7 | Benzoic acid, 4-chloro-2-fluoro-3-methoxy-

AG000DG1

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CAS Number	1169870-80-7
Catalog Number	AG000DG1(AGN-PC-0C17OG)
Chemical Name	Benzoic acid, 4-chloro-2-fluoro-3-methoxy-
IUPAC Name	4-chloro-2-fluoro-3-methoxybenzoic acid
InChI	InChI=1S/C8H6ClFO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	ODAJPJWSLSBLLM-UHFFFAOYSA-N
MDL Number	MFCD19687204
Molecular Formula	C8H6ClFO3
Molecular Weight	204.5828
SMILES	O=C(O)C1=CC=C(Cl)C(OC)=C1F
Synonyms	4-Chloro-2-fluoro-3-methoxybenzoic acid, 1169870-80-7, MFCD19687204, SCHEMBL2925986, ZINC91252029, AKOS015957119, FCH1359465, JS-4981, PC302974, AJ-129217, AX8287853, Benzoic acid, 4-chloro-2-fluoro-3-methoxy-,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.999g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.581g/mol
Monoisotopic Mass	203.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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