AG00IG1X

902586-59-8 | 9-Chloro-5,6,7,8-tetrahydroacridine-3-carboxylic acid

AG00IG1X

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CAS Number	902586-59-8
Catalog Number	AG00IG1X(AGN-PC-0WCK1A)
Chemical Name	9-Chloro-5,6,7,8-tetrahydroacridine-3-carboxylic acid
IUPAC Name	9-chloro-5,6,7,8-tetrahydroacridine-3-carboxylic acid
InChI	InChI=1S/C14H12ClNO2/c15-13-9-3-1-2-4-11(9)16-12-7-8(14(17)18)5-6-10(12)13/h5-7H,1-4H2,(H,17,18)
InChI Key	WBIKDLIOIPPDKH-UHFFFAOYSA-N
MDL Number	MFCD14779907
Molecular Formula	C14H12ClNO2
Molecular Weight	261.7036
SMILES	O=C(C(C=CC1=C2Cl)=CC1=NC3=C2CCCC3)O
Synonyms	9-chloro-5,6,7,8-tetrahydroacridine-3-carboxylic Acid, 902586-59-8, AC1N8A77, SCHEMBL2218702, WBIKDLIOIPPDKH-UHFFFAOYSA-N, ZINC269877, MFCD14779907, AKOS001826646, QC-8333, AK174135, CS-0060799, CID4340614,

Complexity	336
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.056g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.705g/mol
Monoisotopic Mass	261.056g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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