AG005W4V

74572-29-5 | 5-Chloroisoindolin-1-one

AG005W4V

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CAS Number	74572-29-5
Catalog Number	AG005W4V(AGN-PC-02K3P8)
Chemical Name	5-Chloroisoindolin-1-one
IUPAC Name	5-chloro-2,3-dihydroisoindol-1-one
InChI	InChI=1S/C8H6ClNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)
InChI Key	PSKBCTAXSVTOTA-UHFFFAOYSA-N
MDL Number	MFCD08234731
Molecular Formula	C8H6ClNO
Molecular Weight	167.5923
SMILES	O=C1NCC2=C1C=CC(Cl)=C2
Synonyms	5-chloroisoindolin-1-one, 74572-29-5, 5-chloro-2,3-dihydro-1H-isoindol-1-one, 5-CHLORO-1-ISOINDOLINONE, SCHEMBL9477764, CTK5E0064, KS-00003KSV, DTXSID80599922, PSKBCTAXSVTOTA-UHFFFAOYSA-N, CS-D0305, ANW-49245, MFCD08234731, ZINC49582168, 5-chloro-2,3-dihydroisoindol-1-one, 5-chloro-2,3-dihydro-isoindol-1-one, AKOS006285250, FS-3268, MB05670, RL04834, AK-76583, BR-76583, CJ-20613, SC-26135, SY033496, 1H-Isoindol-1-one,5-chloro-2,3-dihydro-, AB0026531, AB1010378, AJ-111118, DB-074845, TR-024095, 4CH-006620, A9546, AM20050415, FT-0682473, ST24032995, W8219, MFCD08234731 (95%), S-7642, J-517395, I14-14494, C8H6ClNO, 1H-ISOINDOL-1-ONE, 5-CHLORO-2,3-DIHYDRO-,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.014g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.592g/mol
Monoisotopic Mass	167.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number