AG008PM1

75677-02-0 | Benzenepropanal,4-chloro-

AG008PM1

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CAS Number	75677-02-0
Catalog Number	AG008PM1(AGN-PC-00B3BK)
Chemical Name	Benzenepropanal,4-chloro-
IUPAC Name	3-(4-chlorophenyl)propanal
InChI	InChI=1S/C9H9ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-7H,1-2H2
InChI Key	UXIFTAZOVKVCBX-UHFFFAOYSA-N
MDL Number	MFCD07772912
Molecular Formula	C9H9ClO
Molecular Weight	168.6202
SMILES	O=CCCc1ccc(cc1)Cl
Synonyms	3-(4-chlorophenyl)propanal, 75677-02-0, Benzenepropanal,4-chloro-, 3-(4-CHLORO-PHENYL)-PROPIONALDEHYDE, 3-(4-CHLOROPHENYL)PROPIONALDEHYDE, BENZENEPROPANAL, 4-CHLORO-, 4-Chlorobenzenepropanal, AC1Q3JG5, p-chlorodihydrocinnamaldehyde, SCHEMBL896217, CTK5E1859, DTXSID20468163, UXIFTAZOVKVCBX-UHFFFAOYSA-N, 3-(4'-Chlorophenyl)propionaldehyde, 3-(4-chlorophenyl)-propionaldehyde, 1755AC, MFCD07772912, ZINC19682827, AKOS011896098, AB42276, AJ-74192, AS-44806, C9H9ClO, CID11535622,

Complexity	117
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.034g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.62g/mol
Monoisotopic Mass	168.034g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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