AG01BFSA

Name: 4-Acetyl-3-chlorobenzonitrile
Brand: Angene Chemical
SKU: AG01BFSA

1096666-21-5 | 4-Acetyl-3-chlorobenzonitrile

AG01BFSA

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CAS Number	1096666-21-5
Catalog Number	AG01BFSA
Chemical Name	4-Acetyl-3-chlorobenzonitrile
IUPAC Name	4-acetyl-3-chlorobenzonitrile
InChI	InChI=1S/C9H6ClNO/c1-6(12)8-3-2-7(5-11)4-9(8)10/h2-4H,1H3
InChI Key	PBBNRCGQFNRSPD-UHFFFAOYSA-N
MDL Number	MFCD26806424
Molecular Formula	C9H6ClNO
Molecular Weight	179.6030
SMILES	CC(=O)C1=C(C=C(C=C1)C#N)Cl
Synonyms	4-acetyl-3-chlorobenzonitrile, 1096666-21-5, SCHEMBL3362814, PBBNRCGQFNRSPD-UHFFFAOYSA-N, MFCD26806424, ZINC98209899, NE25775, AS-36008,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.014g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.603g/mol
Monoisotopic Mass	179.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited