AG00EDW2

57915-79-4 | 3-(2,3-Dichlorophenyl)propionic acid

AG00EDW2

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CAS Number	57915-79-4
Catalog Number	AG00EDW2(AGN-PC-0NJJHU)
Chemical Name	3-(2,3-Dichlorophenyl)propionic acid
IUPAC Name	3-(2,3-dichlorophenyl)propanoic acid
InChI	InChI=1S/C9H8Cl2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-3H,4-5H2,(H,12,13)
InChI Key	QJOCBCMKVRKWLM-UHFFFAOYSA-N
MDL Number	MFCD06823953
Molecular Formula	C9H8Cl2O2
Molecular Weight	219.0646
SMILES	C(CC(=O)O)c1c(Cl)c(Cl)ccc1
Synonyms	3-(2,3-dichlorophenyl)propanoic acid, 57915-79-4, 3-(2,3-DICHLOROPHENYL)PROPIONIC ACID, AC1Q757L, SCHEMBL4699564, CTK1G8102, DTXSID00503783, QJOCBCMKVRKWLM-UHFFFAOYSA-N, KS-00000RJ7, 5975AE, MFCD06823953, SBB017795, ZINC19440624, AKOS000178753, AB30477, DS-4708, MCULE-5031742857, NE40804, NCGC00336399-01, AJ-73564, AK133470, DB-021572, TC-066464, FT-0682161, EN300-39508, AB01331210-02, I04-4802, 3- propionicacid, C9H8Cl2O2,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.99g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.061g/mol
Monoisotopic Mass	217.99g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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

Lot Number