AG0001SE

1003712-18-2 | Benzonitrile, 2,3-difluoro-5-methyl-

AG0001SE

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CAS Number	1003712-18-2
Catalog Number	AG0001SE(AGN-PC-079T7T)
Chemical Name	Benzonitrile, 2,3-difluoro-5-methyl-
IUPAC Name	2,3-difluoro-5-methylbenzonitrile
InChI	InChI=1S/C8H5F2N/c1-5-2-6(4-11)8(10)7(9)3-5/h2-3H,1H3
InChI Key	YHCHCXBCEMMYSF-UHFFFAOYSA-N
MDL Number	MFCD09996953
Molecular Formula	C8H5F2N
Molecular Weight	153.1288
SMILES	N#CC1=CC(C)=CC(F)=C1F
Synonyms	2,3-Difluoro-5-methylbenzonitrile, 1003712-18-2, PubChem8337, SCHEMBL405549, CTK7C7133, DTXSID90661260, 2,3-Difluoro-5-methyl benzonitrile, 0185AA, ANW-73647, FCH880051, MFCD09996953, ZINC19616019, AKOS006303781, AS05011, AS05836, Benzonitrile, 2,3-difluoro-5-methyl-, CM13051, LS10213, AJ-74026, AK-37229, AX8160396, DB-058417, TC-162392, CS-0037589, FT-0687711, ST24038535, S-7952, 2,3-DIFLUORO-5-METHYLBENZENECARBONITRILE, I01-6828, C8H5F2N, A16192, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.039g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.132g/mol
Monoisotopic Mass	153.039g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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