AG003H8V

185147-07-3 | 2-Fluoro-3-methylbenzonitrile

AG003H8V

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CAS Number	185147-07-3
Catalog Number	AG003H8V(AGN-PC-03ZE5P)
Chemical Name	2-Fluoro-3-methylbenzonitrile
IUPAC Name	2-fluoro-3-methylbenzonitrile
InChI	InChI=1S/C8H6FN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3
InChI Key	KBFVSJVSSMGQJC-UHFFFAOYSA-N
MDL Number	MFCD07782078
Molecular Formula	C8H6FN
Molecular Weight	135.1383
SMILES	FC1=C(C#N)C=CC=C1C
Synonyms	2-Fluoro-3-methylbenzonitrile, 185147-07-3, 2-fluoro-3-cyano toluene, Benzonitrile, 2-fluoro-3-methyl-, 2-fluoro-3-methylbenzenecarbonitrile, PubChem4788, ACMC-1BZOI, KSC497I2P, SCHEMBL379458, 2-fluoro-3-methyl-benzonitrile, CTK3J7427, KS-00000EGN, DTXSID50631126, KBFVSJVSSMGQJC-UHFFFAOYSA-N, ACT00209, ANW-23229, CF-904, MFCD07782078, SBB063009, ZINC16158454, AKOS006344546, AC-4079, AS01679, CM13087, CS-W003435, LF10925, LS10264, RTR-008554, TRA0024953, AJ-68528, AK-33838, AN-12346, BR-33838, CJ-15410, DS-12557, SC-47640, SY014073, AB0020642, DB-023790, TL8001494, TR-008554, AM20050316, FT-0083084, FT-0651292, ST24027997, V1601, B-7546, MFCD07782078 (97+%), I01-0050, I01-6825, C8H6FN, ACN-055815, A4103,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.048g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	135.141g/mol
Monoisotopic Mass	135.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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