AG000PXT

1199782-87-0 | 1(2H)-Naphthalenone, 3,4-dihydro-5-iodo-

AG000PXT

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CAS Number	1199782-87-0
Catalog Number	AG000PXT(AGN-PC-0WAMZ4)
Chemical Name	1(2H)-Naphthalenone, 3,4-dihydro-5-iodo-
IUPAC Name	5-iodo-3,4-dihydro-2H-naphthalen-1-one
InChI	InChI=1S/C10H9IO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2
InChI Key	KFSAKKGZKAQYEI-UHFFFAOYSA-N
MDL Number	MFCD09751532
Molecular Formula	C10H9IO
Molecular Weight	272.0823
SMILES	O=C1CCCC2=C1C=CC=C2I
Synonyms	5-Iodo-3,4-dihydronaphthalen-1(2H)-one, 1199782-87-0, 5-Iodo-1-tetralone, 1(2H)-Naphthalenone, 3,4-dihydro-5-iodo-, SCHEMBL18675974, KS-00000RAJ, DTXSID40670463, CI-136, MFCD09751532, ZINC49588540, AKOS015914887, DS-5457, FCH1393080, AK127140, AJ-111349, AX8248931, I14-7245, Not Available,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.97g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	272.085g/mol
Monoisotopic Mass	271.97g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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