AG009ISN

1263285-73-9 | 5-Acetyl-2-bromo-benzonitrile

AG009ISN

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CAS Number	1263285-73-9
Catalog Number	AG009ISN(AGN-PC-0WAAYU)
Chemical Name	5-Acetyl-2-bromo-benzonitrile
IUPAC Name	5-acetyl-2-bromobenzonitrile
InChI	InChI=1S/C9H6BrNO/c1-6(12)7-2-3-9(10)8(4-7)5-11/h2-4H,1H3
InChI Key	JXUIGUNENZXIEQ-UHFFFAOYSA-N
MDL Number	MFCD17676596
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
SMILES	N#CC1=CC(C(C)=O)=CC=C1Br
Synonyms	5-acetyl-2-bromobenzonitrile, 1263285-73-9, 5-Acetyl-2-bromo-benzonitrile, AK141319, CTK8E5148, KS-00000RUA, DTXSID90677422, 4-BROMO-3-CYANOACETOPHENONE, MFCD17676596, ZINC66325826, AKOS015890921, DS-7255, FCH1362153, AJ-116040, AX8281506, ST2406044, TC-071957, 4CH-017123, CS-0041974, I01-8736, ACN-038984,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.963g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.057g/mol
Monoisotopic Mass	222.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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