AG003L6X

3160-40-5 | 4-CHLOROBENZYLIDENEACETONE

AG003L6X

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CAS Number	3160-40-5
Catalog Number	AG003L6X(AGN-PC-0JM2WG)
Chemical Name	4-CHLOROBENZYLIDENEACETONE
EC Number	221-610-5
IUPAC Name	(E)-4-(4-chlorophenyl)but-3-en-2-one
InChI	InChI=1S/C10H9ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+
InChI Key	UUKRKWJGNHNTRG-NSCUHMNNSA-N
MDL Number	MFCD00018790
Molecular Formula	C10H9ClO
Molecular Weight	180.6309
SMILES	CC(/C=C/C1=CC=C(Cl)C=C1)=O
Synonyms	4-CHLOROBENZYLIDENEACETONE, 3160-40-5, 4-Chlorobenzalacetone, 4-(4-Chlorophenyl)-3-buten-2-one, (E)-4-(4-chlorophenyl)but-3-en-2-one, 4-(4-chlorophenyl)but-3-en-2-one, 1-(4-Chlorophenyl)buten-3-one, UUKRKWJGNHNTRG-NSCUHMNNSA-N, MFCD00018790, (3E)-4-(4-chlorophenyl)but-3-en-2-one, (E)-4-(4-Chlorophenyl)-but-3-en-2-one, p-Chlorobenzylidene acetone, 3-Buten-2-one, 4-(4-chlorophenyl)-, AJ-333/25022107, p-Chlorobenzalacetone, 3-Buten-2-one, 4-(p-chlorophenyl)-, (p-Chlorobenzylidene)acetone, (4-Chlorobenzylidene)acetone, 4-chlorocinnamoyl, EINECS 221-610-5, AC1LEIFD, AC1Q3MVX, AC1Q3N3L, CHEMBL76228, SCHEMBL432225, SCHEMBL432226, 30626-03-0, ZX-AT024639, 5603AH, SBB089732, ZINC12359943, 1-(4-Chlorophenyl)-1-buten-3-one, 4-[p-Chlorophenyl]-3-butene-2-one, AKOS009159107, 4-(4-Chlorophenyl)-but-3-en-2-one, ACM3160405, FCH3411427, FCH4935449, 4-(4-Chlorophenyl)-3-buten-2-one #, BBV-38737559, CC-18878, (E)-1-(4-Chlorophenyl)-1-buten-3-one, (E)-4-(4-chlorophenyl)-3-buten-2-one, TC-168926, 4-(4-Chlorophenyl)-3-buten-2-one, 97%, ST50827005, K-7449, C-06769, J-018489, F8886-6129, I14-107120, C10H9ClO, C10-H9-Cl-O, AR-1G1767, AR-1K9757, CID736572, 31804-94-1, 72915-19-6,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	180.034g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.631g/mol
Monoisotopic Mass	180.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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