AG003KMI

5731-01-1 | 1-{4'-bromo-[1,1'-biphenyl]-4-yl}ethan-1-one

AG003KMI

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CAS Number	5731-01-1
Catalog Number	AG003KMI(AGN-PC-0JLS99)
Chemical Name	1-{4'-bromo-[1,1'-biphenyl]-4-yl}ethan-1-one
EC Number	227-236-9
IUPAC Name	1-[4-(4-bromophenyl)phenyl]ethanone
InChI	InChI=1S/C14H11BrO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3
InChI Key	UUVKNCRMWPNBNM-UHFFFAOYSA-N
MDL Number	MFCD00143242
Molecular Formula	C14H11BrO
Molecular Weight	275.1405
NSC Number	58059
SMILES	CC(C1=CC=C(C2=CC=C(Br)C=C2)C=C1)=O
Synonyms	4-Acetyl-4'-bromobiphenyl, 5731-01-1, 4'-(4-Bromophenyl)acetophenone, 1-[4-(4-bromophenyl)phenyl]ethanone, 4'-(p-Bromophenyl)acetophenone, 1-(4'-Bromo-[1,1'-biphenyl]-4-yl)ethanone, 1-(4'-bromobiphenyl-4-yl)ethanone, 4-Acetyl-4'-bromodiphenyl, 4-Bromo-4'-acetylbiphenyl, Ethanone, 1-(4'-bromo[1,1'-biphenyl]-4-yl)-, AK-46293, 1-(4'-bromo[1,1'-biphenyl]-4-yl)ethanone, 1-(4'-Bromo(1,1'-biphenyl)-4-yl)ethan-1-one, AG-205/04557021, W-105475, 1-acetyl-4-(4-bromophenyl)benzene, 1-(4'-bromo-[1,1'-biphenyl]-4-yl)ethan-1-one, 1-{4'-bromo-[1,1'-biphenyl]-4-yl}ethan-1-one, NSC58059, PubChem9084, ACMC-1ANZJ, AC1Q1JNZ, 4'-Bromo-4-acetylbiphenyl, AC1L2Y6I, AC1Q26UW, NCIOpen2_002298, SCHEMBL177294, 4-(4-bromophenyl)acetophenone, CTK3J5499, KS-00000NWO, KS-00003SCI, ZINC41182, DTXSID40205931, UUVKNCRMWPNBNM-UHFFFAOYSA-N, STR06203, ZX-AT021563, ZX-AT021770, 4-ACETYL-4\'-BROMOBIPHENYL, EINECS 227-236-9, ANW-14000, MFCD00143242, NSC-58059, OR2964, SBB005889, AKOS000120874, 1-(4'-bromo-biphenyl-4-yl)-ethanone, AS00904, MCULE-8127684124, RTR-037135, VZ28152, 4'-(4-Bromophenyl)acetophenone, 97%, 1-(4'-Bromobiphenyl-4-yl)ethan-1-one, AJ-08964, BC003413, CC-17626, SC-50850, AX8093424, BB0295977, BC4134514, TR-037135, FT-0617397, ST50308770, V1239, C-17337, I01-3632, 4-Acetyl-4'-bromobiphenyl C14H11BrO 275.15 125-127 degrees 5731-01-1 227-236-9 MFCD00143242 N, C14H11BrO, 2-Methoxyphenylboronic acid, 97%, KST-1A9412, CID79806, AR-1B1729, ACN-025643, A1410, 5990-11-4,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.999g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.145g/mol
Monoisotopic Mass	273.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	UN 3077

Certificate of Analysis

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