AG002IDC

20624-87-7 | Benzoic acid, 3-chloro-4,5-dimethoxy-

AG002IDC

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CAS Number	20624-87-7
Catalog Number	AG002IDC(AGN-PC-0JOF5N)
Chemical Name	Benzoic acid, 3-chloro-4,5-dimethoxy-
IUPAC Name	3-chloro-4,5-dimethoxybenzoic acid
InChI	InChI=1S/C9H9ClO4/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H,11,12)
InChI Key	WUBQRSNEXSSLFX-UHFFFAOYSA-N
MDL Number	MFCD05263734
Molecular Formula	C9H9ClO4
Molecular Weight	216.6184
NSC Number	45932
SMILES	O=C(O)C1=CC(OC)=C(OC)C(Cl)=C1
Synonyms	3-Chloro-4,5-dimethoxybenzoic acid, 20624-87-7, NSC45932, ACMC-20an6w, AC1L64CH, AC1Q3M2N, AC1Q46FV, SCHEMBL985914, CTK4E4695, DTXSID40286467, WUBQRSNEXSSLFX-UHFFFAOYSA-N, ZINC1677698, 3,4-Dimethoxy-5-chlorobenzoic acid, BBL034923, MFCD05263734, NSC-45932, SBB042642, STL417464, 3-Chloro-4,5-dimethoxy-benzoic acid, AKOS000116852, Benzoic acid,3-chloro-4,5-dimethoxy-, MCULE-5071166750, NE54776, Benzoic acid, 3-chloro-4,5-dimethoxy-, 3-Chloro-4,5-dimethoxybenzoic acid, 97%, TC-169727, FT-0734260, EN300-09075, SR-01000050565, I04-9655, J-013469, SR-01000050565-1, AR-1F2591, CID240053, 3-CHLORO-45-DIMETHOXYBENZOICACID97, 23573-86-6,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.019g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.617g/mol
Monoisotopic Mass	216.019g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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