AG002R65

2595-90-6 | Pyrene, 1-(bromomethyl)-

AG002R65

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CAS Number	2595-90-6
Catalog Number	AG002R65(AGN-PC-0K2X58)
Chemical Name	Pyrene, 1-(bromomethyl)-
IUPAC Name	1-(bromomethyl)pyrene
InChI	InChI=1S/C17H11Br/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9H,10H2
InChI Key	UGMXRPVWWWDPFC-UHFFFAOYSA-N
MDL Number	MFCD00269937
Molecular Formula	C17H11Br
Molecular Weight	295.1732
SMILES	BrCC1=C(C2=C34)C=CC4=CC=CC3=CC=C2C=C1
Synonyms	1-(bromomethyl)pyrene, 2595-90-6, 3-(Bromomethyl)pyrene, (1-pyrenyl)bromomethane, AC1LOYB0, Pyrene,1-(bromomethyl)-, Pyrene, 1-(bromomethyl)-, SCHEMBL180814, CTK4F6833, DTXSID50361552, OR8551T, UGMXRPVWWWDPFC-UHFFFAOYSA-N, ZINC1089866, ZX-AT000646, MFCD00269937, AKOS025243458, AS-3261, TRA0087984, ZB016008, FT-0613726, KS-00001945, J-016193, 3- PYRENE, CID1274043,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.004g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	295.179g/mol
Monoisotopic Mass	294.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H318-H335-H413
Packing Group	Ⅲ
Precautionary statements	P261-P264-P271-P273-P280-P302+P352-P304+P340-P305+P351+P338-P310-P321-P332+P313-P362-P403+P233-P405-P501
UN Code	UN 3261

Certificate of Analysis

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