AG00D9YY

452-00-6 | 4-Ethoxy-3-fluorobenzaldehyde

AG00D9YY

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CAS Number	452-00-6
Catalog Number	AG00D9YY(AGN-PC-03TQSB)
Chemical Name	4-Ethoxy-3-fluorobenzaldehyde
IUPAC Name	4-ethoxy-3-fluorobenzaldehyde
InChI	InChI=1S/C9H9FO2/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-6H,2H2,1H3
InChI Key	QSYSVOBKEQYYJN-UHFFFAOYSA-N
MDL Number	MFCD06247348
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	O=CC1=CC=C(OCC)C(F)=C1
Synonyms	4-ETHOXY-3-FLUOROBENZALDEHYDE, 452-00-6, Benzaldehyde,4-ethoxy-3-fluoro-, Benzaldehyde, 4-ethoxy-3-fluoro-, 4-ethoxy-3-fluoro-benzaldehyde, SCHEMBL2585951, CTK4I8674, DTXSID40627715, 4-ethoxy-3-fluoranyl-benzaldehyde, QSYSVOBKEQYYJN-UHFFFAOYSA-N, 6231AB, ANW-73355, ZINC20079316, AKOS000260547, QC-3970, VZ28941, AJ-76022, AB0067312, DB-006799, TC-162100, FT-0081301, FT-0632146, Q-9315, A826739, C9H9FO2,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.167g/mol
Monoisotopic Mass	168.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
UN Code

Certificate of Analysis

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