AG00IECG

870837-27-7 | Benzaldehyde, 3-ethoxy-4-fluoro-

AG00IECG

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CAS Number	870837-27-7
Catalog Number	AG00IECG(AGN-PC-068B31)
Chemical Name	Benzaldehyde, 3-ethoxy-4-fluoro-
IUPAC Name	3-ethoxy-4-fluorobenzaldehyde
InChI	InChI=1S/C9H9FO2/c1-2-12-9-5-7(6-11)3-4-8(9)10/h3-6H,2H2,1H3
InChI Key	HZNOPWKQZZXRIF-UHFFFAOYSA-N
MDL Number	MFCD12022599
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	c1(c(ccc(c1)C=O)F)OCC
Synonyms	3-Ethoxy-4-fluorobenzaldehyde, 870837-27-7, 3-ethoxy-4-fluoro-benzaldehyde, SCHEMBL1121313, DTXSID60655090, HZNOPWKQZZXRIF-UHFFFAOYSA-N, Benzaldehyde, 3-ethoxy-4-fluoro-, FCH898034, MFCD12022599, ZINC71792970, AKOS005264019, AJ-118744, AX8213077, ST24042121, Z0927, E90113, Q-7767, 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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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