AG003HC3

480439-39-2 | 2-Fluorophenethyl isocyanate

AG003HC3

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CAS Number	480439-39-2
Catalog Number	AG003HC3
Chemical Name	2-Fluorophenethyl isocyanate
IUPAC Name	1-fluoro-2-(2-isocyanatoethyl)benzene
InChI	InChI=1S/C9H8FNO/c10-9-4-2-1-3-8(9)5-6-11-7-12/h1-4H,5-6H2
InChI Key	CWAAEUQHLYIEBC-UHFFFAOYSA-N
MDL Number	MFCD13151931
Molecular Formula	C9H8FNO
Molecular Weight	165.1643
SMILES	FC1=C(CCN=C=O)C=CC=C1
Synonyms	2-Fluorophenethyl isocyanate, 480439-39-2, 1-fluoro-2-(2-isocyanatoethyl)benzene, ACMC-20anud, AC1NE9KP, 2-fluorophenethylisocyanate, SCHEMBL1847577, CTK4J0616, DTXSID10404595, 2-Fluorophenethyl isocyanate, 97%, ZINC2526522, 2-FLUORO PHENETHYL ISOCYANATE, RT-007808, 2-FLUOROPHENETHYLISOCYANATE97, CID4588683, Benzene, 1-fluoro-2-(2-isocyanatoethyl)- (9CI),

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.167g/mol
Monoisotopic Mass	165.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H331-H315-H319-H334-H335
Packing Group	Ⅲ
Precautionary statements	P261-P284-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313
UN Code	UN 2206

Certificate of Analysis

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