AG00DJMP

Name: 4-(1,1-Difluoroethyl)benzonitrile
Brand: Angene Chemical
SKU: AG00DJMP

55805-05-5 | 4-(1,1-Difluoroethyl)benzonitrile

AG00DJMP

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CAS Number	55805-05-5
Catalog Number	AG00DJMP(AGN-PC-0WBS08)
Chemical Name	4-(1,1-Difluoroethyl)benzonitrile
IUPAC Name	4-(1,1-difluoroethyl)benzonitrile
InChI	InChI=1S/C9H7F2N/c1-9(10,11)8-4-2-7(6-12)3-5-8/h2-5H,1H3
InChI Key	UNMRXWBCQGIBQE-UHFFFAOYSA-N
MDL Number	MFCD17015609
Molecular Formula	C9H7F2N
Molecular Weight	167.1554
SMILES	CC(C1=CC=C(C#N)C=C1)(F)F
Synonyms	4-(1,1-difluoroethyl)benzonitrile, 55805-05-5, 4-(1,1-difluoroethyl)-benzonitrile, p-CH3CF2C6H4CN, SCHEMBL1840392, UNMRXWBCQGIBQE-UHFFFAOYSA-N, BBL101979, MFCD17015609, STL555776, ZINC96308293, AKOS016015991, KS-00003T65, TS-02247, CS-0069384, Z2130657910,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.055g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.159g/mol
Monoisotopic Mass	167.055g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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