AG003GR3

66217-20-7 | 2-Bromo-6-butoxynaphthalene

AG003GR3

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CAS Number	66217-20-7
Catalog Number	AG003GR3(AGN-PC-0L07Y1)
Chemical Name	2-Bromo-6-butoxynaphthalene
IUPAC Name	2-bromo-6-butoxynaphthalene
InChI	InChI=1S/C14H15BrO/c1-2-3-8-16-14-7-5-11-9-13(15)6-4-12(11)10-14/h4-7,9-10H,2-3,8H2,1H3
InChI Key	LIQQRPRDWMYCPK-UHFFFAOYSA-N
MDL Number	MFCD01568860
Molecular Formula	C14H15BrO
Molecular Weight	279.1723
SMILES	BrC1=CC=C2C=C(C=CC2=C1)OCCCC
Synonyms	2-bromo-6-butoxynaphthalene, 66217-20-7, 2-Bromo-6-n-butoxynaphthalene, AC1Q2XJH, ACMC-209nu3, AC1MXZ92, 2-bromo-6-butoxynaphthalene;, SCHEMBL1608519, 2-Bromo-6-n-butyloxynaphthalene, CTK5C3655, KS-00000DBU, 2-bromo-6-n-butoxy naphthalene;, DTXSID50396566, LIQQRPRDWMYCPK-UHFFFAOYSA-N, ZINC2381139, ANW-35161, EBD589044, MFCD01568860, (6-bromo-[2]naphthyl)-butyl ether;, (6-Brom-[2]naphthyl)-butyl-aether;, AKOS005080903, MCULE-2719044703, AJ-34679, AK143140, SY040434, TC-123906, FT-0722864, ST50408699, V7174, MFCD01568860 (95%), 12N-111, C14H15BrO, ZINC02381139, CID3798414,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.031g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	279.177g/mol
Monoisotopic Mass	278.031g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

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

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