AG00BFP5

267875-54-7 | Benzonitrile, 3-acetyl-4-fluoro- (9CI)

AG00BFP5

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CAS Number	267875-54-7
Catalog Number	AG00BFP5(AGN-PC-0R2PQW)
Chemical Name	Benzonitrile, 3-acetyl-4-fluoro- (9CI)
IUPAC Name	3-acetyl-4-fluorobenzonitrile
InChI	InChI=1S/C9H6FNO/c1-6(12)8-4-7(5-11)2-3-9(8)10/h2-4H,1H3
InChI Key	XYIXCXJIMRIJNE-UHFFFAOYSA-N
MDL Number	MFCD17015615
Molecular Formula	C9H6FNO
Molecular Weight	163.1484
SMILES	CC(C1=CC(C#N)=CC=C1F)=O
Synonyms	3-acetyl-4-fluorobenzonitrile, 267875-54-7, 5'-cyano-2'-fluoroacetophenone, SCHEMBL7213897, XYIXCXJIMRIJNE-UHFFFAOYSA-N, MFCD17015615, ZINC39071371, AKOS023096335, AS-46381, FT-0769835, Benzonitrile, 3-acetyl-4-fluoro- (9CI),

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.151g/mol
Monoisotopic Mass	163.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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