AG00EJ79

65295-61-6 | 3-(4-Fluorophenoxy)benzaldehyde

AG00EJ79

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CAS Number	65295-61-6
Catalog Number	AG00EJ79(AGN-PC-0KP0WP)
Chemical Name	3-(4-Fluorophenoxy)benzaldehyde
IUPAC Name	3-(4-fluorophenoxy)benzaldehyde
InChI	InChI=1S/C13H9FO2/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-9H
InChI Key	HTBZPEDBMOXWID-UHFFFAOYSA-N
MDL Number	MFCD02258991
Molecular Formula	C13H9FO2
Molecular Weight	216.2078
SMILES	O=CC1=CC=CC(OC2=CC=C(F)C=C2)=C1
Synonyms	3-(4-fluorophenoxy)benzaldehyde, 65295-61-6, Benzaldehyde, 3-(4-fluorophenoxy)-, 3-(4-Fluoro-phenoxy)-benzaldehyde, MFCD02258991, AC1MJ4AI, SCHEMBL184380, 3-(4Fluorophenoxy)benzaldehyde, DTXSID8074077, CTK5C2506, 3-(4-fluorophenoxy)-benzaldehyde, HTBZPEDBMOXWID-UHFFFAOYSA-N, Benzaldehyde,3-(4-fluorophenoxy)-, ZINC2579347, 9997AB, ANW-58029, AKOS013256943, MCULE-1032972859, AJ-42842, AS-50094, DB-073600, TC-146774, 4CH-004450, FT-0650537, L-4003, F9995-0354, C13H9FO2, 4-(4'-Fluorophenoxy)benzaldehyde, CID3085320, 137736-06-2,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.059g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.211g/mol
Monoisotopic Mass	216.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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