AG003L76

49678-02-6 | (E)-3-(4-Chlorophenyl)acrylaldehyde

AG003L76

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CAS Number	49678-02-6
Catalog Number	AG003L76(AGN-PC-0OB0JU)
Chemical Name	(E)-3-(4-Chlorophenyl)acrylaldehyde
IUPAC Name	(E)-3-(4-chlorophenyl)prop-2-enal
InChI	InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChI Key	HONRSHHPFBMLBT-OWOJBTEDSA-N
MDL Number	MFCD00156880
Molecular Formula	C9H7ClO
Molecular Weight	166.6043
SMILES	ClC1=CC=C(C=C1)/C=C/C=O
Synonyms	(E)-3-(4-Chlorophenyl)acrylaldehyde, 49678-02-6, 4-CHLOROCINNAMALDEHYDE, 3-(4-Chlorophenyl)acrylaldehyde, 1075-77-0, p-Chlorocinnamaldehyde, 4-Chloro cinnamaldehyde, 3-(4-chlorophenyl)prop-2-enal, (E)-3-(4-chlorophenyl)prop-2-enal, (E)-3-(4-Chlorophenyl)-2-propenal, 2-Propenal, 3-(4-chlorophenyl)-, (2E)-, 4-Chlorobenzeneacrylaldehyde, AC1O00XT, trans-4-chlorocinnamaldehyde, 4-Chlorocinnamaldehyde, 96%, SCHEMBL431858, AMBZ0220, HONRSHHPFBMLBT-OWOJBTEDSA-N, CS-D1085, ZINC3080768, MFCD00156880, AKOS006273607, DS-6010, NE43172, QC-5132, RP17412, NCGC00170991-01, AJ-44420, AN-41499, CJ-10555, 2-Propenal, 3-(4-chlorophenyl)-, (2E), AB1008711, RT-000597, ST2402515, TL8000266, Z3582, PK04_096309, 678C026, I01-9622, J-501913, C9H7ClO, CID5924929,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	166.019g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.604g/mol
Monoisotopic Mass	166.019g/mol
Rotatable Bond Count	2
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	H315-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number