AG002C3B

199391-70-3 | 4-Benzofurancarboxaldehyde, 5-fluoro-

AG002C3B

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CAS Number	199391-70-3
Catalog Number	AG002C3B(AGN-PC-02GX6V)
Chemical Name	4-Benzofurancarboxaldehyde, 5-fluoro-
IUPAC Name	5-fluoro-1-benzofuran-4-carbaldehyde
InChI	InChI=1S/C9H5FO2/c10-8-1-2-9-6(3-4-12-9)7(8)5-11/h1-5H
InChI Key	KVZVZQXBAPJNPX-UHFFFAOYSA-N
MDL Number	MFCD18819778
Molecular Formula	C9H5FO2
Molecular Weight	164.1332
SMILES	O=CC1=C2C=COC2=CC=C1F
Synonyms	5-Fluorobenzofuran-4-carbaldehyde, 199391-70-3, 4-Benzofurancarboxaldehyde, 5-fluoro-, 5-fluoro-1-benzofuran-4-carbaldehyde, SCHEMBL6957213, KS-00000LGJ, KVZVZQXBAPJNPX-UHFFFAOYSA-N, 5-Fluoro-4-benzofurancarboxaldehyde, MFCD18819778, ZINC39136491, 4-benzo[b]furancarbaldehyde,5-fluoro-, AKOS027339731, CS-W000609, 4-Benzofurancarboxaldehyde, 5-fluoro-, AK342737, DS-12383,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.135g/mol
Monoisotopic Mass	164.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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