AG0033GG

254892-91-6 | 3-(4-bromophenyl)cyclobutan-1-one

AG0033GG

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CAS Number	254892-91-6
Catalog Number	AG0033GG(AGN-PC-0LDRUD)
Chemical Name	3-(4-bromophenyl)cyclobutan-1-one
IUPAC Name	3-(4-bromophenyl)cyclobutan-1-one
InChI	InChI=1S/C10H9BrO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8H,5-6H2
InChI Key	FOQRHYVNXUDNKL-UHFFFAOYSA-N
MDL Number	MFCD04038979
Molecular Formula	C10H9BrO
Molecular Weight	225.0819
SMILES	BrC1=CC=C(C=C1)C1CC(C1)=O
Synonyms	3-(4-Bromophenyl)cyclobutanone, 254892-91-6, 3-(4-bromophenyl)cyclobutan-1-one, Cyclobutanone, 3-(4-bromophenyl)-, 3-(4-bromo-phenyl)-cyclobutanone, 3-(4-BROMOPHENYL)-CYCLOBUTANE-1-ONE, AC1NEBSO, SCHEMBL5612, CTK0J4023, DTXSID40404624, FOQRHYVNXUDNKL-UHFFFAOYSA-N, KS-00000C3T, ZINC2525578, 2077AB, MFCD04038979, RW3805, AKOS004115284, PB24838, QC-3260, TRA0080565, AJ-37463, AS-32459, BC685919, CJ-08841, SC-35818, SY017720, AB0063775, DB-067408, TC-307209, CS-0053973, FT-0719235, MFCD04038979 (98%), Z-4422, F8889-7086, Z1889902550, C10H9BrO, ZINC02525578, CID4589695, 18699-87-1,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.984g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.085g/mol
Monoisotopic Mass	223.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number