AG00BFDJ

214760-18-6 | Benzonitrile, 4-acetyl-2-fluoro- (9CI)

AG00BFDJ

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CAS Number	214760-18-6
Catalog Number	AG00BFDJ(AGN-PC-0QY0EZ)
Chemical Name	Benzonitrile, 4-acetyl-2-fluoro- (9CI)
IUPAC Name	4-acetyl-2-fluorobenzonitrile
InChI	InChI=1S/C9H6FNO/c1-6(12)7-2-3-8(5-11)9(10)4-7/h2-4H,1H3
InChI Key	JWNHQAOIXWUFMG-UHFFFAOYSA-N
MDL Number	MFCD10575008
Molecular Formula	C9H6FNO
Molecular Weight	163.1484
SMILES	N#Cc1ccc(cc1F)C(=O)C
Synonyms	4-ACETYL-2-FLUOROBENZONITRILE, 214760-18-6, Benzonitrile,4-acetyl-2-fluoro-, Benzonitrile, 4-acetyl-2-fluoro- (9CI), 4-acetyl-2-fluoro-benzonitrile, SCHEMBL1953476, CTK4E6882, DTXSID00626042, JWNHQAOIXWUFMG-UHFFFAOYSA-N, MFCD10575008, ZINC39953808, AKOS006303135, NE53641, AS-40117, SC-33248, CS-0030459, Benzonitrile,4-acetyl-2-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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