AG00DCVD

54118-76-2 | 3-BROMO-4''-METHOXYBENZOPHENONE

AG00DCVD

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CAS Number	54118-76-2
Catalog Number	AG00DCVD(AGN-PC-0KKLGW)
Chemical Name	3-BROMO-4''-METHOXYBENZOPHENONE
IUPAC Name	(3-bromophenyl)-(4-methoxyphenyl)methanone
InChI	InChI=1S/C14H11BrO2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9H,1H3
InChI Key	VIRBFLHMELPKFP-UHFFFAOYSA-N
MDL Number	MFCD01311588
Molecular Formula	C14H11BrO2
Molecular Weight	291.1399
SMILES	C(=O)(C1=CC=C(OC)C=C1)C1=CC=CC(Br)=C1
Synonyms	(3-bromophenyl)(4-methoxyphenyl)methanone, 54118-76-2, 3-Bromo-4'-methoxybenzophenone, (3-bromo-phenyl)-(4-methoxy-phenyl)-methanone, Methanone,(3-bromophenyl)(4-methoxyphenyl)-, J-501189, AC1MBUXB, SCHEMBL3458301, 4-Methoxy-3'-bromobenzophenone, CTK4J9679, KS-00002APA, DTXSID60373707, VIRBFLHMELPKFP-UHFFFAOYSA-N, ACT03016, ZINC2242938, ZX-AT005338, ANW-47441, BBL100746, MFCD01311588, STL554540, AKOS005255199, OR14751, PS-7171, RP06736, VZ26418, 3-BROMO-4''-METHOXYBENZOPHENONE, AJ-34178, BR-35569, (3-bromophenyl)-(4-methoxyphenyl)methanone, AB0025389, AX8003990, BC3830871, ST2414255, TC-136186, FT-0650182, W6846, S-5406, C14H11BrO2, 3-Bromo-4-methoxybenzophenone, ZINC02242938, CID2757031,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.994g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	291.144g/mol
Monoisotopic Mass	289.994g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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