AG00I9EE

5252-98-2 | Benzoic acid, 4,5-dichloro-2-methyl-

AG00I9EE

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CAS Number	5252-98-2
Catalog Number	AG00I9EE(AGN-PC-0NED1B)
Chemical Name	Benzoic acid, 4,5-dichloro-2-methyl-
IUPAC Name	4,5-dichloro-2-methylbenzoic acid
InChI	InChI=1S/C8H6Cl2O2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	DUULAHGVYKMTME-UHFFFAOYSA-N
MDL Number	MFCD22566295
Molecular Formula	C8H6Cl2O2
Molecular Weight	205.0380
SMILES	O=C(O)C1=CC(Cl)=C(Cl)C=C1C
Synonyms	4,5-Dichloro-2-methylbenzoic acid, 5252-98-2, 3,4-dichloro-6-methylbenzoic acid, SCHEMBL6728055, KS-00000TBI, DTXSID60451716, DUULAHGVYKMTME-UHFFFAOYSA-N, MFCD22566295, ZINC34599905, AKOS024211916, Benzoic acid, 4,5-dichloro-2-methyl-, AK194313, DS-10422, CS-0061238, 4,5-dichloro-2-methyl-benzoic Acid, ACN-041150, CID11009058, 4,5-Dichloro-2-methylbenzoic acid, 97% - 1G 1g,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.034g/mol
Monoisotopic Mass	203.974g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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