AG003GV1

52009-53-7 | 2-Chloro-3,4-dimethoxybenzoic acid

AG003GV1

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CAS Number	52009-53-7
Catalog Number	AG003GV1(AGN-PC-0WAJCF)
Chemical Name	2-Chloro-3,4-dimethoxybenzoic acid
IUPAC Name	2-chloro-3,4-dimethoxybenzoic acid
InChI	InChI=1S/C9H9ClO4/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4H,1-2H3,(H,11,12)
InChI Key	YSEIYOHXERRMNN-UHFFFAOYSA-N
MDL Number	MFCD00084944
Molecular Formula	C9H9ClO4
Molecular Weight	216.6184
SMILES	O(C)c1c(OC)ccc(c1Cl)C(=O)O
Synonyms	2-Chloro-3,4-dimethoxybenzoic acid, 52009-53-7, 2-Chloro-3,4,-dimethoxybenzoic acid, Maybridge1_001936, PubChem15948, AC1MCP7C, ACMC-1AX7H, AC1Q46FM, SCHEMBL2817995, CTK4J5254, HMS546P22, DTXSID00379309, YSEIYOHXERRMNN-UHFFFAOYSA-N, ZINC132423, KS-00003TK9, CCG-56505, MFCD00084944, SBB052785, 2-chloro-3,4-dimethoxy-benzoic acid, AKOS009157530, Benzoic acid,2-chloro-3,4-dimethoxy-, MCULE-4979834345, RP05016, 2-chloranyl-3,4-dimethoxy-benzoic acid, AK326733, TS-03091, 2-Chloro-3,4-dimethoxybenzoic acid, 97%, TC-170789, FT-0611709, ST50949579, Y9318, A828882, J-200138, SR-01000645456-1, I01-17924, C9H9ClO4, CID2774976,

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

Lot Number