AG005OCA

73387-60-7 | (2E)-1-(4-Bromophenyl)-3-(dimethylamino)prop-2-en-1-one

AG005OCA

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CAS Number	73387-60-7
Catalog Number	AG005OCA(AGN-PC-019XY7)
Chemical Name	(2E)-1-(4-Bromophenyl)-3-(dimethylamino)prop-2-en-1-one
IUPAC Name	(E)-1-(4-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
InChI	InChI=1S/C11H12BrNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3-8H,1-2H3/b8-7+
InChI Key	IGZLESKZUATMSD-BQYQJAHWSA-N
MDL Number	MFCD00121187
Molecular Formula	C11H12BrNO
Molecular Weight	254.1231
SMILES	CN(C=CC(C1=CC=C(Br)C=C1)=O)C
Synonyms	(2E)-1-(4-bromophenyl)-3-(dimethylamino)prop-2-en-1-one, 73387-60-7, IGZLESKZUATMSD-BQYQJAHWSA-N, 1-(4-BROMOPHENYL)-3-DIMETHYLAMINOPROPENONE, MFCD00121187, 849619-11-0, (E)-1-(4-bromophenyl)-3-(dimethylamino)prop-2-en-1-one, 1-(4-bromophenyl)-3-dimethylamino-2-propen-1-one, AC1NTAGV, MLS000694789, SCHEMBL1015798, SCHEMBL1015799, CHEMBL1603795, HMS2586C16, ZINC142367, ALBB-017230, ZX-AN015918, ZX-RL001175, HTS028462, AKOS002675779, FCH4489031, FCH5551906, BBV-37738012, OR110236, SC-29011, SMR000333098, AB0072167, R2177, V7537, 4-Bromophenyl 2-(dimethylamino)ethenyl ketone, (E)-1-(4-Bromophenyl)-3-dimethylaminopropenone, (E)-4'-Bromo-beta-(dimethylamino)acrylophenone, 12C-005, (2E)-1(4-bromophenyl)-3-(dimethylamino)prop-2-en-1-one, (2E)-1-(4-Bromophenyl)-3-(dimethylamino)-2-propen-1-one #, (2e)-3-(dimethylamino)-1-(4-bromophenyl) prop-2-en-1-one, 2-Propen-1-one, 1-(4-bromophenyl)-3-(dimethylamino)-, (2E)-, C11H12BrNO, ZINC00142367, ACN-042529, CID5376915, 1-(4-Bromophenyl)-3-(dimethylamino)prop-2-en-1-one, 1-(4-bromophenyl)-3-(dimethylamino)-2-propen-1-one, 2-Propen-1-one, 1-(4-bromophenyl)-3-(dimethylamino)-, (2E)-1-(4-Bromophenyl)-3-(dimethylamino)-2-propen-1-one,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	253.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.127g/mol
Monoisotopic Mass	253.01g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number