AG00HB3H

1082042-25-8 | 4-Chloro-2-fluoro-6-methoxybenzoic acid

AG00HB3H

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CAS Number	1082042-25-8
Catalog Number	AG00HB3H(AGN-PC-0WD3HL)
Chemical Name	4-Chloro-2-fluoro-6-methoxybenzoic acid
IUPAC Name	4-chloro-2-fluoro-6-methoxybenzoic acid
InChI	InChI=1S/C8H6ClFO3/c1-13-6-3-4(9)2-5(10)7(6)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	JLZRFRKBYNNGKJ-UHFFFAOYSA-N
MDL Number	MFCD11845551
Molecular Formula	C8H6ClFO3
Molecular Weight	204.5828
SMILES	O=C(O)C1=C(OC)C=C(Cl)C=C1F
Synonyms	4-Chloro-2-fluoro-6-methoxybenzoic acid, 1082042-25-8, DTXSID60694626, KS-00000RS7, MFCD11845551, ZINC43220719, DS-6487, FCH1405975, AK138917, AJ-108555, AX8260522, W-1375,

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

Certificate of Analysis

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