AG00C450

Name: 3-(2-Chloro-6-fluorophenyl)-3-oxopropanenitrile
Brand: Angene Chemical
SKU: AG00C450

267881-03-8 | 3-(2-Chloro-6-fluorophenyl)-3-oxopropanenitrile

AG00C450

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CAS Number	267881-03-8
Catalog Number	AG00C450
Chemical Name	3-(2-Chloro-6-fluorophenyl)-3-oxopropanenitrile
IUPAC Name	3-(2-chloro-6-fluorophenyl)-3-oxopropanenitrile
InChI	InChI=1S/C9H5ClFNO/c10-6-2-1-3-7(11)9(6)8(13)4-5-12/h1-3H,4H2
InChI Key	VABHMTVOJXTKAU-UHFFFAOYSA-N
MDL Number	MFCD08458113
Molecular Formula	C9H5ClFNO
Molecular Weight	197.5935
SMILES	FC1=C(C(CC#N)=O)C(Cl)=CC=C1
Synonyms	2-Chloro-6-fluorobenzoylacetonitrile, 267881-03-8, 3-(2-chloro-6-fluorophenyl)-3-oxopropanenitrile, SCHEMBL16563485, CTK7C9362, ZX-AP005417, MFCD08458113, SBB092210, ZINC16159894, AKOS000186862, BBV-078901, FCH4976864, ACM267881038, 3-(6-chloro-2-fluorophenyl)-3-oxopropanenitrile, Benzenepropanenitrile, 2-chloro-6-fluoro-beta-oxo-,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.004g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.593g/mol
Monoisotopic Mass	197.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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