AG003D2I

80480-15-5 | 2-Bromo-1-(pyren-1-yl)ethanone

AG003D2I

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CAS Number	80480-15-5
Catalog Number	AG003D2I(AGN-PC-0JMNEL)
Chemical Name	2-Bromo-1-(pyren-1-yl)ethanone
IUPAC Name	2-bromo-1-pyren-1-ylethanone
InChI	InChI=1S/C18H11BrO/c19-10-16(20)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-9H,10H2
InChI Key	KAEDEGFCOPIKKM-UHFFFAOYSA-N
MDL Number	MFCD00191839
Molecular Formula	C18H11BrO
Molecular Weight	323.1833
SMILES	BrCC(C1=C(C2=C34)C=CC4=CC=CC3=CC=C2C=C1)=O
Synonyms	1-bromoacetylpyrene, 2-Bromo-1-(pyren-1-yl)ethanone, 80480-15-5, 1-(Bromoacetyl)pyrene, 1-Bromoacetylpyrene, Ethanone, 2-bromo-1-(1-pyrenyl)-, J-503504, C18H11BrO, ACMC-209wku, AC1L32UX, 1-(Bromoacetyl)pyrene, 97%, 2-bromo-1-pyren-1-ylethanone, 2-bromo-1-pyrenylethan-1-one, AC1Q27G6, SCHEMBL2048935, CTK5E7832, DTXSID30230358, 2-Bromo-1-(1-pyrenyl)ethanonet, KAEDEGFCOPIKKM-UHFFFAOYSA-N, Ethanone,2-bromo-1-(1-pyrenyl)-, ZINC2556961, ANW-46492, CB-443, AKOS015904432, MCULE-6844563004, QC-4848, RL05101, AJ-40015, AK-86113, AX8051644, ST2416508, TC-135237, FT-0605812, ST51038289, W8543, A23484, I14-16754, 2-bromo-1-(1-pyrenyl)Ethanone;2-bromo-1-(pyren-3-yl)ethanone;2-broMo-1-(pyren-1-yl)ethanone, 1- PYRENE, C18-H11-Br-O, AR-1I7756, CID133483, ACN-031768, 84930-99-4,

Complexity	393
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.999g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	323.189g/mol
Monoisotopic Mass	321.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H314-H413
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

Lot Number