AG000YR3

129-94-2 | 2-((8-Chloronaphthalen-1-Yl)Thio)Acetic Acid

AG000YR3

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CAS Number	129-94-2
Catalog Number	AG000YR3(AGN-PC-0JL7OC)
Chemical Name	2-((8-Chloronaphthalen-1-Yl)Thio)Acetic Acid
EC Number	204-971-3
IUPAC Name	2-(8-chloronaphthalen-1-yl)sulfanylacetic acid
InChI	InChI=1S/C12H9ClO2S/c13-9-5-1-3-8-4-2-6-10(12(8)9)16-7-11(14)15/h1-6H,7H2,(H,14,15)
InChI Key	WPNAGQJVWAFQJV-UHFFFAOYSA-N
MDL Number	MFCD00043901
Molecular Formula	C12H9ClO2S
Molecular Weight	252.7167
SMILES	S(CC(=O)O)c1c2c(ccc1)cccc2Cl
Synonyms	129-94-2, (8-Chloro-1-naphthylthio)acetic acid, 2-(8-CHLORO-1-NAPHTHYLTHIO)ACETIC ACID, 2-((8-Chloronaphthalen-1-yl)thio)acetic acid, 2-[(8-chloronaphthalen-1-yl)sulfanyl]acetic acid, 2-[(8-chloro-1-naphthyl)thio]acetic acid, MFCD00043901, [(8-chloronaphthalen-1-yl)sulfanyl]acetic acid, 2-(8-chloronaphthalen-1-yl)sulfanylacetic acid, Acetic acid,2-[(8-chloro-1-naphthalenyl)thio]-, Maybridge1_001748, [(8-chloro-1-naphthyl)sulfanyl]acetic acid, EINECS 204-971-3, ACMC-1BUGO, AC1Q5WTW, AC1Q76AU, AC1L273B, SCHEMBL3070296, CTK4B6446, HMS546H10, DTXSID30156029, ZINC132046, KS-000016IK, 2-(8-chloronaphthylthio)acetic acid, (8-Chloro-1-naphthylthio)aceticAcid, 3553AD, ANW-19151, BBL034701, CCG-54030, STL428862, AKOS001013405, AS-9147, MCULE-5185701554, NE34376, [(8-Chloro-1-naphthyl)thio]acetic acid, 2-(8-chloronaphthalen-1-ylthio)acetic acid, DB-041937, TC-107896, FT-0610834, ST50406852, Acetic acid, 2-[(8-chloro-1-naphthalenyl)thio]-, SR-01000643152-1, I14-92289, Z56779305, C12H9ClO2S, C12-H9-Cl-O2-S, KST-1A1051, CID67219, AR-1A8445, C2052, Acetic acid, ((8-chloro-1-naphthalenyl)thio)-, 13088-64-7,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.001g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.712g/mol
Monoisotopic Mass	252.001g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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