AG00FFQ2

68034-76-4 | 3-(2,5-Dichlorophenyl)propanoic acid

AG00FFQ2

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CAS Number	68034-76-4
Catalog Number	AG00FFQ2(AGN-PC-01MKV9)
Chemical Name	3-(2,5-Dichlorophenyl)propanoic acid
IUPAC Name	3-(2,5-dichlorophenyl)propanoic acid
InChI	InChI=1S/C9H8Cl2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h2-3,5H,1,4H2,(H,12,13)
InChI Key	NPCALKBOEAOXNJ-UHFFFAOYSA-N
MDL Number	MFCD06823958
Molecular Formula	C9H8Cl2O2
Molecular Weight	219.0646
SMILES	O=C(O)CCC1=CC(Cl)=CC=C1Cl
Synonyms	3-(2,5-dichlorophenyl)propanoic acid, 68034-76-4, 2,5-dichloroBenzenepropanoic acid, SCHEMBL4699761, KS-00000TV6, MFCD06823958, ZINC36179830, AKOS014651611, AK548678, DA-04366, DS-19455, CS-0059865, FT-0767103, 3-(2,5-Dichlorophenyl)propanoic acid, AldrichCPR, F2167-9450, Benzenepropanoic acid, 2,5-dichloro-, ACN-031358,

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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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