AG0038F9

796600-15-2 | 2-Chloro-4-fluoro-3-methylbenzonitrile

AG0038F9

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CAS Number	796600-15-2
Catalog Number	AG0038F9(AGN-PC-078OAT)
Chemical Name	2-Chloro-4-fluoro-3-methylbenzonitrile
IUPAC Name	2-chloro-4-fluoro-3-methylbenzonitrile
InChI	InChI=1S/C8H5ClFN/c1-5-7(10)3-2-6(4-11)8(5)9/h2-3H,1H3
InChI Key	IOKBJSAKTZEMBR-UHFFFAOYSA-N
MDL Number	MFCD13193544
Molecular Formula	C8H5ClFN
Molecular Weight	169.5834
SMILES	ClC1=C(C#N)C=CC(=C1C)F
Synonyms	2-chloro-4-fluoro-3-methylbenzonitrile, 796600-15-2, 2-chloro-3-methyl-4-fluorobenzonitrile, 2-chloro-4-fluoro-3-methyl-Benzonitrile, Benzonitrile, 2-chloro-4-fluoro-3-methyl-, AK-31408, PubChem18453, KSC375I2D, SCHEMBL220882, CTK2H5421, DTXSID00659310, IOKBJSAKTZEMBR-UHFFFAOYSA-N, KS-000001OJ, ANW-72818, BBL101479, CL8160, MFCD13193544, RW3467, STL555275, ZINC38540316, AKOS005259165, AM83044, AN-2856, CS-W004249, DS-0753, FCH1157407, QC-2364, RP23184, RTR-037862, AJ-96374, BR-31408, CJ-19521, EN000093, AB0026765, AX8158600, DB-014072, ST2409812, TR-037862, 4CH-008035, FT-0649327, W8507, S-6122, A839730, 2-chloranyl-4-fluoranyl-3-methyl-benzenecarbonitrile, I01-9435, J-508732, C8H5ClFN,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.583g/mol
Monoisotopic Mass	169.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number